CID 114809

Bromodichloroacetic acid

Structural Information

Molecular Formula
C2HBrCl2O2
SMILES
C(=O)(C(Cl)(Cl)Br)O
InChI
InChI=1S/C2HBrCl2O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKey
XSWVFEQKZFUULO-UHFFFAOYSA-N
Compound name
2-bromo-2,2-dichloroacetic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

27
References

128
Patents

205.8537 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.86098 125.3
[M+Na]+ 228.84292 139.1
[M-H]- 204.84642 127.5
[M+NH4]+ 223.88752 148.5
[M+K]+ 244.81686 126.2
[M+H-H2O]+ 188.85096 129.1
[M+HCOO]- 250.85190 135.6
[M+CH3COO]- 264.86755 176.5
[M+Na-2H]- 226.82837 133.6
[M]+ 205.85315 144.8
[M]- 205.85425 144.8
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.