CID 83409688

3-bromo-2-fluoro-5-methylbenzamide

Structural Information

Molecular Formula
C8H7BrFNO
SMILES
CC1=CC(=C(C(=C1)Br)F)C(=O)N
InChI
InChI=1S/C8H7BrFNO/c1-4-2-5(8(11)12)7(10)6(9)3-4/h2-3H,1H3,(H2,11,12)
InChIKey
HUAHYBZBHGOZHJ-UHFFFAOYSA-N
Compound name
3-bromo-2-fluoro-5-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

230.9695 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.97678 139.7
[M+Na]+ 253.95872 152.3
[M-H]- 229.96222 145.0
[M+NH4]+ 249.00332 161.1
[M+K]+ 269.93266 140.7
[M+H-H2O]+ 213.96676 138.7
[M+HCOO]- 275.96770 160.6
[M+CH3COO]- 289.98335 190.6
[M+Na-2H]- 251.94417 144.5
[M]+ 230.96895 156.0
[M]- 230.97005 156.0
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