CID 67632

Heptafluorobutyryl fluoride

Structural Information

Molecular Formula
C4F8O
SMILES
C(=O)(C(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C4F8O/c5-1(13)2(6,7)3(8,9)4(10,11)12
InChIKey
YYXWJNBPHDUWJP-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluorobutanoyl fluoride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

535
Patents

215.98215 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.98943 130.9
[M+Na]+ 238.97137 140.6
[M-H]- 214.97487 121.9
[M+NH4]+ 234.01597 148.8
[M+K]+ 254.94531 139.1
[M+H-H2O]+ 198.97941 121.1
[M+HCOO]- 260.98035 141.5
[M+CH3COO]- 274.99600 187.0
[M+Na-2H]- 236.95682 135.4
[M]+ 215.98160 119.0
[M]- 215.98270 119.0
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

No patent data available for this compound.