CID 3016284

41526-21-0

Structural Information

Molecular Formula
C14H10BrClN2O2
SMILES
C1=CC=NC(=C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)CCl
InChI
InChI=1S/C14H10BrClN2O2/c15-9-4-5-11(18-13(19)8-16)10(7-9)14(20)12-3-1-2-6-17-12/h1-7H,8H2,(H,18,19)
InChIKey
LYISZEZBKBGONS-UHFFFAOYSA-N
Compound name
N-[4-bromo-2-(pyridine-2-carbonyl)phenyl]-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

351.96143 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.96871 166.1
[M+Na]+ 374.95065 177.2
[M-H]- 350.95415 173.9
[M+NH4]+ 369.99525 182.0
[M+K]+ 390.92459 163.7
[M+H-H2O]+ 334.95869 164.6
[M+HCOO]- 396.95963 182.1
[M+CH3COO]- 410.97528 207.7
[M+Na-2H]- 372.93610 171.5
[M]+ 351.96088 186.6
[M]- 351.96198 186.6
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

patents stripe