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
3
Annotation Hits

5
References

776
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 130.6
[M+Na]+ 254.94181 141.1
[M-H]- 230.94531 122.9
[M+NH4]+ 249.98641 149.0
[M+K]+ 270.91575 137.8
[M+H-H2O]+ 214.94985 122.6
[M+HCOO]- 276.95079 138.1
[M+CH3COO]- 290.96644 187.7
[M+Na-2H]- 252.92726 135.7
[M]+ 231.95204 122.3
[M]- 231.95314 122.3
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