CID 5747575

171199-29-4

Structural Information

Molecular Formula
C11H13ClN2O2
SMILES
CCC/C(=N/OC(=O)NC1=CC=CC=C1)/Cl
InChI
InChI=1S/C11H13ClN2O2/c1-2-6-10(12)14-16-11(15)13-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,13,15)/b14-10-
InChIKey
XIVUXWNBEUZUCX-UVTDQMKNSA-N
Compound name
[(Z)-1-chlorobutylideneamino] N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.06656 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.07384 152.4
[M+Na]+ 263.05578 163.2
[M+NH4]+ 258.10038 159.9
[M+K]+ 279.02972 156.7
[M-H]- 239.05928 154.7
[M+Na-2H]- 261.04123 158.7
[M]+ 240.06601 154.6
[M]- 240.06711 154.6
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.