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

88
Patents

197.06075 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.06803 140.8
[M+Na]+ 220.04997 148.9
[M-H]- 196.05347 145.9
[M+NH4]+ 215.09457 161.6
[M+K]+ 236.02391 146.4
[M+H-H2O]+ 180.05801 135.6
[M+HCOO]- 242.05895 161.5
[M+CH3COO]- 256.07460 188.9
[M+Na-2H]- 218.03542 145.6
[M]+ 197.06020 144.1
[M]- 197.06130 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