CID 12506677

89551-62-2

Structural Information

Molecular Formula
C4ClF7
SMILES
C(=C(F)F)(C(C(F)(F)Cl)(F)F)F
InChI
InChI=1S/C4ClF7/c5-4(11,12)3(9,10)1(6)2(7)8
InChIKey
AARHFRMJZTZXLE-UHFFFAOYSA-N
Compound name
4-chloro-1,1,2,3,3,4,4-heptafluorobut-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

215.95767 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.96495 127.4
[M+Na]+ 238.94689 137.3
[M-H]- 214.95039 119.4
[M+NH4]+ 233.99149 146.4
[M+K]+ 254.92083 133.6
[M+H-H2O]+ 198.95493 119.1
[M+HCOO]- 260.95587 135.3
[M+CH3COO]- 274.97152 186.1
[M+Na-2H]- 236.93234 130.3
[M]+ 215.95712 117.7
[M]- 215.95822 117.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe