CID 5702437

208663-08-5

Structural Information

Molecular Formula
C11H10ClNO3
SMILES
CC1=C(C=C(C=C1)Cl)NC(=O)/C=C\C(=O)O
InChI
InChI=1S/C11H10ClNO3/c1-7-2-3-8(12)6-9(7)13-10(14)4-5-11(15)16/h2-6H,1H3,(H,13,14)(H,15,16)/b5-4-
InChIKey
KFLFGXYJSLVOCF-PLNGDYQASA-N
Compound name
(Z)-4-(5-chloro-2-methylanilino)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.03493 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.04221 149.2
[M+Na]+ 262.02415 157.5
[M-H]- 238.02765 151.8
[M+NH4]+ 257.06875 166.9
[M+K]+ 277.99809 153.0
[M+H-H2O]+ 222.03219 144.4
[M+HCOO]- 284.03313 167.5
[M+CH3COO]- 298.04878 189.8
[M+Na-2H]- 260.00960 151.9
[M]+ 239.03438 150.9
[M]- 239.03548 150.9
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.