CID 7275223

5-bromo-n-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide

Structural Information

Molecular Formula
C14H10BrClFNO2
SMILES
COC1=C(C=C(C=C1)Cl)NC(=O)C2=C(C=CC(=C2)Br)F
InChI
InChI=1S/C14H10BrClFNO2/c1-20-13-5-3-9(16)7-12(13)18-14(19)10-6-8(15)2-4-11(10)17/h2-7H,1H3,(H,18,19)
InChIKey
BZSGTAMJTOUMQX-UHFFFAOYSA-N
Compound name
5-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.95676 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.96404 168.3
[M+Na]+ 379.94598 181.2
[M-H]- 355.94948 176.7
[M+NH4]+ 374.99058 185.9
[M+K]+ 395.91992 167.5
[M+H-H2O]+ 339.95402 166.7
[M+HCOO]- 401.95496 185.2
[M+CH3COO]- 415.97061 209.9
[M+Na-2H]- 377.93143 172.4
[M]+ 356.95621 189.2
[M]- 356.95731 189.2
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.