CID 6600

Perfluoroallyl chloride

Structural Information

Molecular Formula
C3ClF5
SMILES
C(=C(F)F)(C(F)(F)Cl)F
InChI
InChI=1S/C3ClF5/c4-3(8,9)1(5)2(6)7
InChIKey
IJTAKAGEJXIJPQ-UHFFFAOYSA-N
Compound name
3-chloro-1,1,2,3,3-pentafluoroprop-1-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

609
Patents

165.96086 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.96814 118.6
[M+Na]+ 188.95008 128.3
[M-H]- 164.95358 112.9
[M+NH4]+ 183.99468 139.7
[M+K]+ 204.92402 125.3
[M+H-H2O]+ 148.95812 111.8
[M+HCOO]- 210.95906 130.3
[M+CH3COO]- 224.97471 176.7
[M+Na-2H]- 186.93553 122.4
[M]+ 165.96031 111.7
[M]- 165.96141 111.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe