CID 74106

2-bromo-4'-chloro-2'-(o-fluorobenzoyl)acetanilide

Structural Information

Molecular Formula
C15H10BrClFNO2
SMILES
C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CBr)F
InChI
InChI=1S/C15H10BrClFNO2/c16-8-14(20)19-13-6-5-9(17)7-11(13)15(21)10-3-1-2-4-12(10)18/h1-7H,8H2,(H,19,20)
InChIKey
WUZSFIKFFXBHMB-UHFFFAOYSA-N
Compound name
2-bromo-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

368.95676 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.96404 172.0
[M+Na]+ 391.94598 183.5
[M-H]- 367.94948 179.9
[M+NH4]+ 386.99058 188.6
[M+K]+ 407.91992 169.5
[M+H-H2O]+ 351.95402 170.2
[M+HCOO]- 413.95496 187.8
[M+CH3COO]- 427.97061 211.6
[M+Na-2H]- 389.93143 175.1
[M]+ 368.95621 191.6
[M]- 368.95731 191.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe