CID 10081862

(2e)-4-(3-chlorophenyl)-4-oxobut-2-enoicacid

Structural Information

Molecular Formula
C10H7ClO3
SMILES
C1=CC(=CC(=C1)Cl)C(=O)/C=C/C(=O)O
InChI
InChI=1S/C10H7ClO3/c11-8-3-1-2-7(6-8)9(12)4-5-10(13)14/h1-6H,(H,13,14)/b5-4+
InChIKey
CAGNWJGEYYHSDK-SNAWJCMRSA-N
Compound name
(E)-4-(3-chlorophenyl)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

210.00838 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01566 141.2
[M+Na]+ 232.99760 153.7
[M+NH4]+ 228.04220 148.4
[M+K]+ 248.97154 147.9
[M-H]- 209.00110 141.4
[M+Na-2H]- 230.98305 146.6
[M]+ 210.00783 143.1
[M]- 210.00893 143.1
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

patents stripe