CID 71977747

2-bromo-6-fluoro-n-methylbenzamide

Structural Information

Molecular Formula
C8H7BrFNO
SMILES
CNC(=O)C1=C(C=CC=C1Br)F
InChI
InChI=1S/C8H7BrFNO/c1-11-8(12)7-5(9)3-2-4-6(7)10/h2-4H,1H3,(H,11,12)
InChIKey
KLGPTTXNBFPLDE-UHFFFAOYSA-N
Compound name
2-bromo-6-fluoro-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.9695 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.97678 141.3
[M+Na]+ 253.95872 143.9
[M+NH4]+ 249.00332 145.6
[M+K]+ 269.93266 143.9
[M-H]- 229.96222 141.0
[M+Na-2H]- 251.94417 144.4
[M]+ 230.96895 140.2
[M]- 230.97005 140.2
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.