CID 44151960

3-(dichloromethyl) butenedioic acid

Structural Information

Molecular Formula
C5H4Cl2O4
SMILES
C(=C(\C(Cl)Cl)/C(=O)O)\C(=O)O
InChI
InChI=1S/C5H4Cl2O4/c6-4(7)2(5(10)11)1-3(8)9/h1,4H,(H,8,9)(H,10,11)/b2-1+
InChIKey
XQPMZMWICDPYOM-OWOJBTEDSA-N
Compound name
(Z)-2-(dichloromethyl)but-2-enedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.94867 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.955946 130.3
[M+Na]+ 220.937888 138.4
[M-H]- 196.941394 128.1
[M+NH4]+ 215.982493 149.3
[M+K]+ 236.911828 134.7
[M+H-H2O]+ 180.945930 128.9
[M+HCOO]- 242.946871 140.1
[M+CH3COO]- 256.962521 175.9
[M+Na-2H]- 218.923336 131.5
[M]+ 197.94812142 131.5
[M]- 197.94921858 131.5
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.