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 139.9
[M+Na]+ 232.04997 149.1
[M-H]- 208.05347 147.2
[M+NH4]+ 227.09457 154.6
[M+K]+ 248.02391 144.3
[M+H-H2O]+ 192.05801 134.0
[M+HCOO]- 254.05895 160.5
[M+CH3COO]- 268.07460 190.0
[M+Na-2H]- 230.03542 145.7
[M]+ 209.06020 143.3
[M]- 209.06130 143.3
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.