CID 132567696

Ns00133671

Structural Information

Molecular Formula
C5H4BrClO4
SMILES
C(=C(\C(Cl)Br)/C(=O)O)\C(=O)O
InChI
InChI=1S/C5H4BrClO4/c6-4(7)2(5(10)11)1-3(8)9/h1,4H,(H,8,9)(H,10,11)/b2-1+
InChIKey
OJAFEBYXINVQLN-OWOJBTEDSA-N
Compound name
(Z)-2-[bromo(chloro)methyl]but-2-enedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.89815 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.905426 136.8
[M+Na]+ 264.887368 147.7
[M-H]- 240.890874 137.5
[M+NH4]+ 259.931973 157.0
[M+K]+ 280.861308 135.5
[M+H-H2O]+ 224.895410 138.7
[M+HCOO]- 286.896351 149.0
[M+CH3COO]- 300.912001 181.6
[M+Na-2H]- 262.872816 139.5
[M]+ 241.89760142 155.0
[M]- 241.89869858 155.0
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.