CID 584070

3-(bromomethyl)benzamide

Structural Information

Molecular Formula
C8H8BrNO
SMILES
C1=CC(=CC(=C1)C(=O)N)CBr
InChI
InChI=1S/C8H8BrNO/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H2,10,11)
InChIKey
ORRDZVRYRNYLMB-UHFFFAOYSA-N
Compound name
3-(bromomethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

201
Patents

212.97893 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.98621 137.1
[M+Na]+ 235.96815 147.9
[M-H]- 211.97165 143.0
[M+NH4]+ 231.01275 158.7
[M+K]+ 251.94209 136.8
[M+H-H2O]+ 195.97619 136.8
[M+HCOO]- 257.97713 159.0
[M+CH3COO]- 271.99278 185.9
[M+Na-2H]- 233.95360 143.9
[M]+ 212.97838 153.8
[M]- 212.97948 153.8
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