CID 30216

Methyl n-(2-chlorophenyl)carbamate

Structural Information

Molecular Formula
C8H8ClNO2
SMILES
COC(=O)NC1=CC=CC=C1Cl
InChI
InChI=1S/C8H8ClNO2/c1-12-8(11)10-7-5-3-2-4-6(7)9/h2-5H,1H3,(H,10,11)
InChIKey
SJTVPRCAJODHGA-UHFFFAOYSA-N
Compound name
methyl N-(2-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

185.02435 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03163 134.9
[M+Na]+ 208.01357 143.8
[M-H]- 184.01707 139.0
[M+NH4]+ 203.05817 155.6
[M+K]+ 223.98751 141.0
[M+H-H2O]+ 168.02161 130.2
[M+HCOO]- 230.02255 156.1
[M+CH3COO]- 244.03820 180.7
[M+Na-2H]- 205.99902 141.6
[M]+ 185.02380 137.6
[M]- 185.02490 137.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe