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
4
Annotation Hits

0
References

538
Patents

215.98215 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.989426 130.9
[M+Na]+ 238.971368 140.6
[M-H]- 214.974874 121.9
[M+NH4]+ 234.015973 148.8
[M+K]+ 254.945308 139.1
[M+H-H2O]+ 198.979410 121.1
[M+HCOO]- 260.980351 141.5
[M+CH3COO]- 274.996001 187.0
[M+Na-2H]- 236.956816 135.4
[M]+ 215.98160142 119.0
[M]- 215.98269858 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

literature stripe

Patent stripe

patents stripe