CID 52323

N-(2-(ethylthio)ethyl)-p-chlorobenzylidenimine

Structural Information

Molecular Formula
C11H14ClNS
SMILES
CCSCCN=CC1=CC=C(C=C1)Cl
InChI
InChI=1S/C11H14ClNS/c1-2-14-8-7-13-9-10-3-5-11(12)6-4-10/h3-6,9H,2,7-8H2,1H3
InChIKey
TXVHICPVZWRJPQ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-N-(2-ethylsulfanylethyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.05354 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06082 147.9
[M+Na]+ 250.04276 156.2
[M-H]- 226.04626 152.8
[M+NH4]+ 245.08736 168.2
[M+K]+ 266.01670 151.1
[M+H-H2O]+ 210.05080 142.3
[M+HCOO]- 272.05174 164.5
[M+CH3COO]- 286.06739 192.1
[M+Na-2H]- 248.02821 151.2
[M]+ 227.05299 153.2
[M]- 227.05409 153.2
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.