CID 2723706

Mucochloric acid

Structural Information

Molecular Formula

C₄H₂Cl₂O₃

SMILES

C(=O)/C(=C(/C(=O)O)\Cl)/Cl

InChI

InChI=1S/C4H2Cl2O3/c5-2(1-7)3(6)4(8)9/h1H,(H,8,9)/b3-2+

InChIKey

LUMLZKVIXLWTCI-NSCUHMNNSA-N

Compound name

(E)-2,3-dichloro-4-oxobut-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 29
References: 9356
Patents: 167.9381 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	168.94538	126.6
[M+Na]+	190.92732	137.0
[M+NH4]+	185.97192	133.4
[M+K]+	206.90126	133.2
[M-H]-	166.93082	123.8
[M+Na-2H]-	188.91277	129.1
[M]+	167.93755	127.4
[M]-	167.93865	127.4

Literature stripe

literature stripe

Patent stripe

patents stripe