CID 43156231

3-(chloromethyl)-n-cyclopropylbenzamide

Structural Information

Molecular Formula
C11H12ClNO
SMILES
C1CC1NC(=O)C2=CC=CC(=C2)CCl
InChI
InChI=1S/C11H12ClNO/c12-7-8-2-1-3-9(6-8)11(14)13-10-4-5-10/h1-3,6,10H,4-5,7H2,(H,13,14)
InChIKey
BFOWVOBDBLDQOK-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-N-cyclopropylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.06075 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.06803 143.0
[M+Na]+ 232.04997 157.3
[M+NH4]+ 227.09457 152.7
[M+K]+ 248.02391 151.4
[M-H]- 208.05347 153.8
[M+Na-2H]- 230.03542 153.5
[M]+ 209.06020 149.4
[M]- 209.06130 149.4
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

No patent data available for this compound.