CID 7275225

5-bromo-n-(3-chlorophenyl)-2-fluorobenzamide

Structural Information

Molecular Formula
C13H8BrClFNO
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)C2=C(C=CC(=C2)Br)F
InChI
InChI=1S/C13H8BrClFNO/c14-8-4-5-12(16)11(6-8)13(18)17-10-3-1-2-9(15)7-10/h1-7H,(H,17,18)
InChIKey
QGGZNRMXDDSWOQ-UHFFFAOYSA-N
Compound name
5-bromo-N-(3-chlorophenyl)-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

326.94617 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.95345 161.4
[M+Na]+ 349.93539 174.1
[M-H]- 325.93889 169.6
[M+NH4]+ 344.97999 180.0
[M+K]+ 365.90933 159.9
[M+H-H2O]+ 309.94343 160.2
[M+HCOO]- 371.94437 178.5
[M+CH3COO]- 385.96002 204.1
[M+Na-2H]- 347.92084 166.8
[M]+ 326.94562 180.3
[M]- 326.94672 180.3
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

patents stripe