CID 520892

Bromodifluoroacetyl chloride

Structural Information

Molecular Formula
C2BrClF2O
SMILES
C(=O)(C(F)(F)Br)Cl
InChI
InChI=1S/C2BrClF2O/c3-2(5,6)1(4)7
InChIKey
LYJKGSALBRSKNL-UHFFFAOYSA-N
Compound name
2-bromo-2,2-difluoroacetyl chloride
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

347
Patents

191.8789 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.88618 124.2
[M+Na]+ 214.86812 138.0
[M-H]- 190.87162 125.6
[M+NH4]+ 209.91272 148.1
[M+K]+ 230.84206 126.4
[M+H-H2O]+ 174.87616 125.4
[M+HCOO]- 236.87710 138.5
[M+CH3COO]- 250.89275 177.7
[M+Na-2H]- 212.85357 132.3
[M]+ 191.87835 141.3
[M]- 191.87945 141.3
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