CID 18331976

2-(4-bromobenzoyl)benzamide

Structural Information

Molecular Formula
C14H10BrNO2
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)C(=O)N
InChI
InChI=1S/C14H10BrNO2/c15-10-7-5-9(6-8-10)13(17)11-3-1-2-4-12(11)14(16)18/h1-8H,(H2,16,18)
InChIKey
KEVWHFOREDPUPX-UHFFFAOYSA-N
Compound name
2-(4-bromobenzoyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

302.9895 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.99678 159.9
[M+Na]+ 325.97872 169.8
[M-H]- 301.98222 168.5
[M+NH4]+ 321.02332 177.5
[M+K]+ 341.95266 157.9
[M+H-H2O]+ 285.98676 158.3
[M+HCOO]- 347.98770 180.7
[M+CH3COO]- 362.00335 201.9
[M+Na-2H]- 323.96417 164.1
[M]+ 302.98895 176.7
[M]- 302.99005 176.7
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

patents stripe