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]+ 241.073836 153.0
[M+Na]+ 263.055778 159.2
[M-H]- 239.059284 157.5
[M+NH4]+ 258.100383 171.3
[M+K]+ 279.029718 156.4
[M+H-H2O]+ 223.063820 146.7
[M+HCOO]- 285.064761 174.8
[M+CH3COO]- 299.080411 195.5
[M+Na-2H]- 261.041226 158.1
[M]+ 240.06601142 156.1
[M]- 240.06710858 156.1
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.