CID 6028206

331462-21-6

Structural Information

Molecular Formula
C16H13BrClNO
SMILES
CC1=C(C=C(C=C1)NC(=O)/C=C/C2=CC(=CC=C2)Br)Cl
InChI
InChI=1S/C16H13BrClNO/c1-11-5-7-14(10-15(11)18)19-16(20)8-6-12-3-2-4-13(17)9-12/h2-10H,1H3,(H,19,20)/b8-6+
InChIKey
DBMNWIQPDWNPGO-SOFGYWHQSA-N
Compound name
(E)-3-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.9869 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.99418 169.1
[M+Na]+ 371.97612 174.8
[M+NH4]+ 367.02072 174.1
[M+K]+ 387.95006 172.1
[M-H]- 347.97962 172.4
[M+Na-2H]- 369.96157 174.5
[M]+ 348.98635 170.0
[M]- 348.98745 170.0
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.