CID 71758722

Methyl n-{4-[(2-chloroacetamido)methyl]phenyl}carbamate

Structural Information

Molecular Formula
C11H13ClN2O3
SMILES
COC(=O)NC1=CC=C(C=C1)CNC(=O)CCl
InChI
InChI=1S/C11H13ClN2O3/c1-17-11(16)14-9-4-2-8(3-5-9)7-13-10(15)6-12/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16)
InChIKey
ZRHWYICKNOAONE-UHFFFAOYSA-N
Compound name
methyl N-[4-[[(2-chloroacetyl)amino]methyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.06146 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.06874 155.3
[M+Na]+ 279.05068 162.0
[M-H]- 255.05418 158.9
[M+NH4]+ 274.09528 172.6
[M+K]+ 295.02462 158.9
[M+H-H2O]+ 239.05872 149.4
[M+HCOO]- 301.05966 175.9
[M+CH3COO]- 315.07531 196.3
[M+Na-2H]- 277.03613 159.4
[M]+ 256.06091 158.4
[M]- 256.06201 158.4
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.