PubChemLite - Nsc645360 (C17H14F12O2Te)

Structural Information

Molecular Formula

SMILES

CC(C)(C)C1=CC2=C3C(=C1)C(O[Te]3(OC2(C(F)(F)F)C(F)(F)F)C)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H14F12O2Te/c1-11(2,3)7-5-8-10-9(6-7)13(16(24,25)26,17(27,28)29)31-32(10,4)30-12(8,14(18,19)20)15(21,22)23/h5-6H,1-4H3

InChIKey

VBQHBFFAWQHHOW-UHFFFAOYSA-N

Compound name

9-tert-butyl-4-methyl-2,2,6,6-tetrakis(trifluoromethyl)-3,5-dioxa-4lambda4-telluratricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	608.99373	221.0
[M+Na]+	630.97567	233.6
[M-H]-	606.97917	213.6
[M+NH4]+	626.02027	236.6
[M+K]+	646.94961	230.1
[M+H-H2O]+	590.98371	211.3
[M+HCOO]-	652.98465	218.2
[M+CH3COO]-	667.00030	238.9
[M+Na-2H]-	628.96112	225.0
[M]+	607.98590	210.5
[M]-	607.98700	210.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

608.99373

221.0

[M+Na]+

630.97567

233.6

[M-H]-

606.97917

213.6

[M+NH4]+

626.02027

236.6

[M+K]+

646.94961

230.1

[M+H-H2O]+

590.98371

211.3

[M+HCOO]-

652.98465

218.2

[M+CH3COO]-

667.00030

238.9

[M+Na-2H]-

628.96112

225.0

[M]+

607.98590

210.5

[M]-

607.98700

210.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Nsc645360

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe