CID 5279956

3-bromo-4-fluoro-n-(4-fluoro-3-methyl-phenyl)benzamide

Structural Information

Molecular Formula
C14H10BrF2NO
SMILES
CC1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)F)Br)F
InChI
InChI=1S/C14H10BrF2NO/c1-8-6-10(3-5-12(8)16)18-14(19)9-2-4-13(17)11(15)7-9/h2-7H,1H3,(H,18,19)
InChIKey
UWLZKZWSEZIISR-UHFFFAOYSA-N
Compound name
3-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.9914 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.99868 164.9
[M+Na]+ 347.98062 177.0
[M-H]- 323.98412 172.1
[M+NH4]+ 343.02522 182.8
[M+K]+ 363.95456 164.0
[M+H-H2O]+ 307.98866 161.8
[M+HCOO]- 369.98960 184.9
[M+CH3COO]- 384.00525 207.1
[M+Na-2H]- 345.96607 168.5
[M]+ 324.99085 181.2
[M]- 324.99195 181.2
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.