CID 690966

4-bromo-n-phenylbenzamide

Structural Information

Molecular Formula
C13H10BrNO
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C13H10BrNO/c14-11-8-6-10(7-9-11)13(16)15-12-4-2-1-3-5-12/h1-9H,(H,15,16)
InChIKey
QVTGXXQAVWWJRO-UHFFFAOYSA-N
Compound name
4-bromo-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

99
Patents

274.99457 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.00185 152.9
[M+Na]+ 297.98379 162.8
[M-H]- 273.98729 161.9
[M+NH4]+ 293.02839 172.0
[M+K]+ 313.95773 151.0
[M+H-H2O]+ 257.99183 151.7
[M+HCOO]- 319.99277 175.3
[M+CH3COO]- 334.00842 195.9
[M+Na-2H]- 295.96924 160.6
[M]+ 274.99402 170.0
[M]- 274.99512 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

literature stripe

Patent stripe

patents stripe