CID 4197379

Furfuryl n-(5-chloro-2-methylphenyl)carbamate

Structural Information

Molecular Formula
C13H12ClNO3
SMILES
CC1=C(C=C(C=C1)Cl)NC(=O)OCC2=CC=CO2
InChI
InChI=1S/C13H12ClNO3/c1-9-4-5-10(14)7-12(9)15-13(16)18-8-11-3-2-6-17-11/h2-7H,8H2,1H3,(H,15,16)
InChIKey
KMSIOMNEFYGIED-UHFFFAOYSA-N
Compound name
furan-2-ylmethyl N-(5-chloro-2-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.05057 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.057846 158.5
[M+Na]+ 288.039788 167.3
[M-H]- 264.043294 166.3
[M+NH4]+ 283.084393 176.2
[M+K]+ 304.013728 164.3
[M+H-H2O]+ 248.047830 152.4
[M+HCOO]- 310.048771 179.3
[M+CH3COO]- 324.064421 194.7
[M+Na-2H]- 286.025236 162.6
[M]+ 265.05002142 163.6
[M]- 265.05111858 163.6
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

No patent data available for this compound.