CID 15608274

4-(bromomethyl)-n-methylbenzamide

Structural Information

Molecular Formula
C9H10BrNO
SMILES
CNC(=O)C1=CC=C(C=C1)CBr
InChI
InChI=1S/C9H10BrNO/c1-11-9(12)8-4-2-7(6-10)3-5-8/h2-5H,6H2,1H3,(H,11,12)
InChIKey
DEZOBYZCLMFHLC-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

226.99458 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.001856 140.9
[M+Na]+ 249.983798 151.5
[M-H]- 225.987304 147.2
[M+NH4]+ 245.028403 162.4
[M+K]+ 265.957738 140.5
[M+H-H2O]+ 209.991840 140.5
[M+HCOO]- 271.992781 163.2
[M+CH3COO]- 286.008431 188.7
[M+Na-2H]- 247.969246 148.3
[M]+ 226.99403142 158.9
[M]- 226.99512858 158.9
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

patents stripe