CID 73557

Bromosuccinic acid

Structural Information

Molecular Formula
C4H5BrO4
SMILES
C(C(C(=O)O)Br)C(=O)O
InChI
InChI=1S/C4H5BrO4/c5-2(4(8)9)1-3(6)7/h2H,1H2,(H,6,7)(H,8,9)
InChIKey
QQWGVQWAEANRTK-UHFFFAOYSA-N
Compound name
2-bromobutanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

1596
Patents

195.93712 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.94440 130.9
[M+Na]+ 218.92634 141.0
[M-H]- 194.92984 131.5
[M+NH4]+ 213.97094 151.9
[M+K]+ 234.90028 131.3
[M+H-H2O]+ 178.93438 131.5
[M+HCOO]- 240.93532 148.2
[M+CH3COO]- 254.95097 175.8
[M+Na-2H]- 216.91179 135.2
[M]+ 195.93657 148.2
[M]- 195.93767 148.2
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