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]+ 266.05785 157.3
[M+Na]+ 288.03979 170.4
[M+NH4]+ 283.08439 165.3
[M+K]+ 304.01373 165.6
[M-H]- 264.04329 162.2
[M+Na-2H]- 286.02524 164.3
[M]+ 265.05002 160.7
[M]- 265.05112 160.7
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.