CID 3020774

85508-36-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.95676 Da
Monoisotopic Mass

4.4
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.