CID 4404315

Cyclohexyl n-(3,4-dichlorophenyl)carbamate

Structural Information

Molecular Formula
C13H15Cl2NO2
SMILES
C1CCC(CC1)OC(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H15Cl2NO2/c14-11-7-6-9(8-12(11)15)16-13(17)18-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,16,17)
InChIKey
CZRDJGBRLSZZOL-UHFFFAOYSA-N
Compound name
cyclohexyl N-(3,4-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.04797 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.05525 162.2
[M+Na]+ 310.03719 168.4
[M-H]- 286.04069 167.4
[M+NH4]+ 305.08179 178.7
[M+K]+ 326.01113 163.1
[M+H-H2O]+ 270.04523 156.5
[M+HCOO]- 332.04617 173.7
[M+CH3COO]- 346.06182 198.2
[M+Na-2H]- 308.02264 164.2
[M]+ 287.04742 161.6
[M]- 287.04852 161.6
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