CID 54727983

1148126-03-7

Structural Information

Molecular Formula
C17H13ClN2O2
SMILES
C/C(=C(\C#N)/C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2Cl)/O
InChI
InChI=1S/C17H13ClN2O2/c1-11(21)15(10-19)17(22)20-13-8-6-12(7-9-13)14-4-2-3-5-16(14)18/h2-9,21H,1H3,(H,20,22)/b15-11-
InChIKey
LPTUTTULCBOUPL-PTNGSMBKSA-N
Compound name
(Z)-N-[4-(2-chlorophenyl)phenyl]-2-cyano-3-hydroxybut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.06656 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.073836 179.1
[M+Na]+ 335.055778 188.1
[M-H]- 311.059284 183.1
[M+NH4]+ 330.100383 191.7
[M+K]+ 351.029718 180.7
[M+H-H2O]+ 295.063820 166.1
[M+HCOO]- 357.064761 192.2
[M+CH3COO]- 371.080411 214.2
[M+Na-2H]- 333.041226 179.0
[M]+ 312.06601142 173.8
[M]- 312.06710858 173.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.