CID 641231

(2z)-2-bromobut-2-enedioic acid

Structural Information

Molecular Formula
C4H3BrO4
SMILES
C(=C(/C(=O)O)\Br)\C(=O)O
InChI
InChI=1S/C4H3BrO4/c5-2(4(8)9)1-3(6)7/h1H,(H,6,7)(H,8,9)/b2-1-
InChIKey
SOWPGKJPEXNMCS-UPHRSURJSA-N
Compound name
(Z)-2-bromobut-2-enedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

134
Patents

193.92146 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.92874 129.3
[M+Na]+ 216.91068 139.7
[M-H]- 192.91418 129.9
[M+NH4]+ 211.95528 150.3
[M+K]+ 232.88462 129.5
[M+H-H2O]+ 176.91872 130.0
[M+HCOO]- 238.91966 146.7
[M+CH3COO]- 252.93531 174.3
[M+Na-2H]- 214.89613 133.7
[M]+ 193.92091 145.8
[M]- 193.92201 145.8
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