CID 720159

N-(4-bromo-3-methylphenyl)-2-fluorobenzamide

Structural Information

Molecular Formula
C14H11BrFNO
SMILES
CC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2F)Br
InChI
InChI=1S/C14H11BrFNO/c1-9-8-10(6-7-12(9)15)17-14(18)11-4-2-3-5-13(11)16/h2-8H,1H3,(H,17,18)
InChIKey
IHSGUFPXDOOQLA-UHFFFAOYSA-N
Compound name
N-(4-bromo-3-methylphenyl)-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.0008 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.00808 161.1
[M+Na]+ 329.99002 172.2
[M-H]- 305.99352 169.2
[M+NH4]+ 325.03462 179.5
[M+K]+ 345.96396 159.8
[M+H-H2O]+ 289.99806 158.8
[M+HCOO]- 351.99900 182.1
[M+CH3COO]- 366.01465 203.4
[M+Na-2H]- 327.97547 166.1
[M]+ 307.00025 178.1
[M]- 307.00135 178.1
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.