CID 74885

2043-53-0

Structural Information

Molecular Formula

C₁₀H₄F₁₇I

SMILES

C(CI)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C10H4F17I/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2

InChIKey

XVKJSLBVVRCOIT-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iododecane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 462
Patents: 573.9086 Da
Monoisotopic Mass: 7.5
XlogP (predicted)

Profile

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]+	574.91588	198.0
[M+Na]+	596.89782	204.1
[M-H]-	572.90132	202.3
[M+NH4]+	591.94242	205.9
[M+K]+	612.87176	211.7
[M+H-H2O]+	556.90586	176.9
[M+HCOO]-	618.90680	217.0
[M+CH3COO]-	632.92245	238.4
[M+Na-2H]-	594.88327	186.9
[M]+	573.90805	195.2
[M]-	573.90915	195.2

Literature stripe

literature stripe

Patent stripe

patents stripe