CID 21874604

3-(chloromethyl)-n,n-dimethylbenzamide

Structural Information

Molecular Formula
C10H12ClNO
SMILES
CN(C)C(=O)C1=CC=CC(=C1)CCl
InChI
InChI=1S/C10H12ClNO/c1-12(2)10(13)9-5-3-4-8(6-9)7-11/h3-6H,7H2,1-2H3
InChIKey
IAIVBMDMECTBOB-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

197.06075 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.068026 140.8
[M+Na]+ 220.049968 148.9
[M-H]- 196.053474 145.9
[M+NH4]+ 215.094573 161.6
[M+K]+ 236.023908 146.4
[M+H-H2O]+ 180.058010 135.6
[M+HCOO]- 242.058951 161.5
[M+CH3COO]- 256.074601 188.9
[M+Na-2H]- 218.035416 145.6
[M]+ 197.06020142 144.1
[M]- 197.06129858 144.1
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