CID 45051060

5-bromo-2-fluoro-n-(2-methyl-6-nitrophenyl)benzamide

Structural Information

Molecular Formula
C14H10BrFN2O3
SMILES
CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C2=C(C=CC(=C2)Br)F
InChI
InChI=1S/C14H10BrFN2O3/c1-8-3-2-4-12(18(20)21)13(8)17-14(19)10-7-9(15)5-6-11(10)16/h2-7H,1H3,(H,17,19)
InChIKey
UVIBNVGJKNGXEI-UHFFFAOYSA-N
Compound name
5-bromo-2-fluoro-N-(2-methyl-6-nitrophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.98587 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.99315 170.8
[M+Na]+ 374.97509 180.8
[M-H]- 350.97859 178.9
[M+NH4]+ 370.01969 186.4
[M+K]+ 390.94903 164.8
[M+H-H2O]+ 334.98313 171.7
[M+HCOO]- 396.98407 192.5
[M+CH3COO]- 410.99972 205.6
[M+Na-2H]- 372.96054 176.0
[M]+ 351.98532 187.5
[M]- 351.98642 187.5
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.