CID 24707657

5-bromo-2-fluoro-n-(3-methoxyphenyl)benzamide

Structural Information

Molecular Formula
C14H11BrFNO2
SMILES
COC1=CC=CC(=C1)NC(=O)C2=C(C=CC(=C2)Br)F
InChI
InChI=1S/C14H11BrFNO2/c1-19-11-4-2-3-10(8-11)17-14(18)12-7-9(15)5-6-13(12)16/h2-8H,1H3,(H,17,18)
InChIKey
RVZQJLOOWDVZAQ-UHFFFAOYSA-N
Compound name
5-bromo-2-fluoro-N-(3-methoxyphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.99573 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.00301 163.9
[M+Na]+ 345.98495 174.8
[M-H]- 321.98845 172.0
[M+NH4]+ 341.02955 181.5
[M+K]+ 361.95889 162.9
[M+H-H2O]+ 305.99299 161.3
[M+HCOO]- 367.99393 185.0
[M+CH3COO]- 382.00958 205.4
[M+Na-2H]- 343.97040 168.9
[M]+ 322.99518 182.2
[M]- 322.99628 182.2
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.