CID 24212880

3-(2-bromophenyl)-n-(2-chloro-4-methylphenyl)propanamide

Structural Information

Molecular Formula
C16H15BrClNO
SMILES
CC1=CC(=C(C=C1)NC(=O)CCC2=CC=CC=C2Br)Cl
InChI
InChI=1S/C16H15BrClNO/c1-11-6-8-15(14(18)10-11)19-16(20)9-7-12-4-2-3-5-13(12)17/h2-6,8,10H,7,9H2,1H3,(H,19,20)
InChIKey
FHPPKNHIDKLBSW-UHFFFAOYSA-N
Compound name
3-(2-bromophenyl)-N-(2-chloro-4-methylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.00256 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.00984 171.7
[M+Na]+ 373.99178 183.0
[M-H]- 349.99528 180.7
[M+NH4]+ 369.03638 189.4
[M+K]+ 389.96572 168.7
[M+H-H2O]+ 333.99982 170.7
[M+HCOO]- 396.00076 188.7
[M+CH3COO]- 410.01641 209.9
[M+Na-2H]- 371.97723 176.0
[M]+ 351.00201 192.5
[M]- 351.00311 192.5
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.