CID 122906

N-(2-benzoyl-4-chlorophenyl)-2-bromoacetamide

Structural Information

Molecular Formula
C15H11BrClNO2
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CBr
InChI
InChI=1S/C15H11BrClNO2/c16-9-14(19)18-13-7-6-11(17)8-12(13)15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
InChIKey
VYYHFSBVBDFTML-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-chlorophenyl)-2-bromoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

350.96616 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.97344 168.7
[M+Na]+ 373.95538 179.4
[M-H]- 349.95888 177.6
[M+NH4]+ 368.99998 185.8
[M+K]+ 389.92932 165.8
[M+H-H2O]+ 333.96342 167.8
[M+HCOO]- 395.96436 185.5
[M+CH3COO]- 409.98001 208.0
[M+Na-2H]- 371.94083 173.2
[M]+ 350.96561 189.0
[M]- 350.96671 189.0
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

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