CID 764659

Nsc191392

Structural Information

Molecular Formula
C16H14ClNO
SMILES
CC1=C(C=CC=C1Cl)NC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C16H14ClNO/c1-12-14(17)8-5-9-15(12)18-16(19)11-10-13-6-3-2-4-7-13/h2-11H,1H3,(H,18,19)/b11-10+
InChIKey
JHOSABSCZPNQBT-ZHACJKMWSA-N
Compound name
(E)-N-(3-chloro-2-methylphenyl)-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0764 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.08368 161.6
[M+Na]+ 294.06562 169.6
[M-H]- 270.06912 168.2
[M+NH4]+ 289.11022 178.5
[M+K]+ 310.03956 163.1
[M+H-H2O]+ 254.07366 154.8
[M+HCOO]- 316.07460 181.4
[M+CH3COO]- 330.09025 198.8
[M+Na-2H]- 292.05107 165.7
[M]+ 271.07585 162.9
[M]- 271.07695 162.9
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.