CID 61106

Trifluoroacetyl chloride

Structural Information

Molecular Formula
C2ClF3O
SMILES
C(=O)(C(F)(F)F)Cl
InChI
InChI=1S/C2ClF3O/c3-1(7)2(4,5)6
InChIKey
PNQBEPDZQUOCNY-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroacetyl chloride
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

11
References

5481
Patents

131.95898 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.96626 112.7
[M+Na]+ 154.94820 123.0
[M-H]- 130.95170 109.9
[M+NH4]+ 149.99280 135.5
[M+K]+ 170.92214 121.1
[M+H-H2O]+ 114.95624 107.9
[M+HCOO]- 176.95718 128.1
[M+CH3COO]- 190.97283 168.9
[M+Na-2H]- 152.93365 119.5
[M]+ 131.95843 110.1
[M]- 131.95953 110.1
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