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

6685
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.