CID 8302

Hexafluoropropene

Structural Information

Molecular Formula

C₃F₆

SMILES

C(=C(F)F)(C(F)(F)F)F

InChI

InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9

InChIKey

HCDGVLDPFQMKDK-UHFFFAOYSA-N

Compound name

1,1,2,3,3,3-hexafluoroprop-1-ene

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 33
References: 94821
Patents: 149.99042 Da
Monoisotopic Mass: 1.9
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]+	150.99770	118.2
[M+Na]+	172.97964	127.3
[M-H]-	148.98314	111.4
[M+NH4]+	168.02424	139.1
[M+K]+	188.95358	126.1
[M+H-H2O]+	132.98768	109.6
[M+HCOO]-	194.98862	133.2
[M+CH3COO]-	209.00427	175.2
[M+Na-2H]-	170.96509	121.6
[M]+	149.98987	107.9
[M]-	149.99097	107.9

Literature stripe

literature stripe

Patent stripe

patents stripe