CID 43627731

3-(chloromethyl)-n-methoxy-n-methylbenzamide

Structural Information

Molecular Formula
C10H12ClNO2
SMILES
CN(C(=O)C1=CC=CC(=C1)CCl)OC
InChI
InChI=1S/C10H12ClNO2/c1-12(14-2)10(13)9-5-3-4-8(6-9)7-11/h3-6H,7H2,1-2H3
InChIKey
SIGRJCOXOPMMLD-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-N-methoxy-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

213.05565 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.062926 143.7
[M+Na]+ 236.044868 151.8
[M-H]- 212.048374 148.9
[M+NH4]+ 231.089473 163.8
[M+K]+ 252.018808 149.9
[M+H-H2O]+ 196.052910 138.3
[M+HCOO]- 258.053851 164.7
[M+CH3COO]- 272.069501 190.9
[M+Na-2H]- 234.030316 148.6
[M]+ 213.05510142 148.5
[M]- 213.05619858 148.5
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