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
5
Annotation Hits

27
References

118
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

literature stripe

Patent stripe

patents stripe