CID 459409

6-chloro-4-methyl-n-phenyl-benzothiophen-3-imine

Structural Information

Molecular Formula
C15H12ClNS
SMILES
CC1=CC(=CC2=C1C(=NC3=CC=CC=C3)CS2)Cl
InChI
InChI=1S/C15H12ClNS/c1-10-7-11(16)8-14-15(10)13(9-18-14)17-12-5-3-2-4-6-12/h2-8H,9H2,1H3
InChIKey
QPLGUQMOADRAGL-UHFFFAOYSA-N
Compound name
6-chloro-4-methyl-N-phenyl-1-benzothiophen-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0379 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.04518 160.5
[M+Na]+ 296.02712 171.3
[M-H]- 272.03062 170.1
[M+NH4]+ 291.07172 182.1
[M+K]+ 312.00106 164.7
[M+H-H2O]+ 256.03516 154.8
[M+HCOO]- 318.03610 176.9
[M+CH3COO]- 332.05175 174.1
[M+Na-2H]- 294.01257 162.8
[M]+ 273.03735 164.4
[M]- 273.03845 164.4
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.