CID 13319073

2,3,3,3-tetrafluoropropanoyl fluoride

Structural Information

Molecular Formula
C3HF5O
SMILES
C(C(=O)F)(C(F)(F)F)F
InChI
InChI=1S/C3HF5O/c4-1(2(5)9)3(6,7)8/h1H
InChIKey
OVCHOVMROGWUGQ-UHFFFAOYSA-N
Compound name
2,3,3,3-tetrafluoropropanoyl fluoride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

37
Patents

147.99475 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.002026 118.5
[M+Na]+ 170.983968 127.4
[M-H]- 146.987474 112.9
[M+NH4]+ 166.028573 139.5
[M+K]+ 186.957908 127.1
[M+H-H2O]+ 130.992010 110.6
[M+HCOO]- 192.992951 134.8
[M+CH3COO]- 207.008601 174.8
[M+Na-2H]- 168.969416 122.5
[M]+ 147.99420142 111.1
[M]- 147.99529858 111.1
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