CID 21832238

Benzyln-(3-chloro-2-oxopropyl)carbamate

Structural Information

Molecular Formula
C11H12ClNO3
SMILES
C1=CC=C(C=C1)COC(=O)NCC(=O)CCl
InChI
InChI=1S/C11H12ClNO3/c12-6-10(14)7-13-11(15)16-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,15)
InChIKey
ISNQAEOLORGFRY-UHFFFAOYSA-N
Compound name
benzyl N-(3-chloro-2-oxopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.05057 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.05785 151.1
[M+Na]+ 264.03979 157.6
[M-H]- 240.04329 154.3
[M+NH4]+ 259.08439 168.9
[M+K]+ 280.01373 154.5
[M+H-H2O]+ 224.04783 145.3
[M+HCOO]- 286.04877 170.6
[M+CH3COO]- 300.06442 190.7
[M+Na-2H]- 262.02524 155.6
[M]+ 241.05002 154.5
[M]- 241.05112 154.5
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.