PubChemLite - 101832-57-9 (C19H26Cl6N2O2)

Structural Information

Molecular Formula

SMILES

CC(C)(C)NC(=O)CCC1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)NC(C)(C)C

InChI

InChI=1S/C19H26Cl6N2O2/c1-15(2,3)26-10(28)8-7-9-11(14(29)27-16(4,5)6)18(23)13(21)12(20)17(9,22)19(18,24)25/h9,11H,7-8H2,1-6H3,(H,26,28)(H,27,29)

InChIKey

DLKUHVHBTOANNM-UHFFFAOYSA-N

Compound name

N-tert-butyl-3-[3-(tert-butylamino)-3-oxopropyl]-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2-carboxamide

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]+	525.01988	216.8
[M+Na]+	547.00182	223.3
[M-H]-	523.00532	213.6
[M+NH4]+	542.04642	232.2
[M+K]+	562.97576	217.4
[M+H-H2O]+	507.00986	218.2
[M+HCOO]-	569.01080	204.2
[M+CH3COO]-	583.02645	240.9
[M+Na-2H]-	544.98727	212.6
[M]+	524.01205	216.4
[M]-	524.01315	216.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

525.01988

216.8

[M+Na]+

547.00182

223.3

[M-H]-

523.00532

213.6

[M+NH4]+

542.04642

232.2

[M+K]+

562.97576

217.4

[M+H-H2O]+

507.00986

218.2

[M+HCOO]-

569.01080

204.2

[M+CH3COO]-

583.02645

240.9

[M+Na-2H]-

544.98727

212.6

[M]+

524.01205

216.4

[M]-

524.01315

216.4

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

101832-57-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe