CID 2110928

N-(3-bromo-4-methylphenyl)-2-chloroacetamide

Structural Information

Molecular Formula
C9H9BrClNO
SMILES
CC1=C(C=C(C=C1)NC(=O)CCl)Br
InChI
InChI=1S/C9H9BrClNO/c1-6-2-3-7(4-8(6)10)12-9(13)5-11/h2-4H,5H2,1H3,(H,12,13)
InChIKey
QRGBHDFCJNDFIY-UHFFFAOYSA-N
Compound name
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.9556 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.96288 145.6
[M+Na]+ 283.94482 158.1
[M-H]- 259.94832 152.1
[M+NH4]+ 278.98942 167.0
[M+K]+ 299.91876 145.0
[M+H-H2O]+ 243.95286 146.2
[M+HCOO]- 305.95380 163.6
[M+CH3COO]- 319.96945 193.3
[M+Na-2H]- 281.93027 152.0
[M]+ 260.95505 165.9
[M]- 260.95615 165.9
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.