CID 67810

Heptafluorobutyryl chloride

Structural Information

Molecular Formula
C4ClF7O
SMILES
C(=O)(C(C(C(F)(F)F)(F)F)(F)F)Cl
InChI
InChI=1S/C4ClF7O/c5-1(13)2(6,7)3(8,9)4(10,11)12
InChIKey
WFELVFKXQJYPSL-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluorobutanoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

527
Patents

231.95259 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.95987 167.7
[M+Na]+ 254.94181 170.4
[M+NH4]+ 249.98641 168.7
[M+K]+ 270.91575 167.6
[M-H]- 230.94531 158.8
[M+Na-2H]- 252.92726 165.8
[M]+ 231.95204 165.3
[M]- 231.95314 165.3
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