CID 317339

5-chloro-n-(2-thienylmethylene)-o-toluidine

Structural Information

Molecular Formula
C12H10ClNS
SMILES
CC1=C(C=C(C=C1)Cl)N=CC2=CC=CS2
InChI
InChI=1S/C12H10ClNS/c1-9-4-5-10(13)7-12(9)14-8-11-3-2-6-15-11/h2-8H,1H3
InChIKey
MRKCAMROVSYVMP-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-methylphenyl)-1-thiophen-2-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.02225 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.02953 150.6
[M+Na]+ 258.01147 161.3
[M-H]- 234.01497 159.6
[M+NH4]+ 253.05607 172.5
[M+K]+ 273.98541 155.6
[M+H-H2O]+ 218.01951 144.9
[M+HCOO]- 280.02045 169.4
[M+CH3COO]- 294.03610 164.9
[M+Na-2H]- 255.99692 152.8
[M]+ 235.02170 155.3
[M]- 235.02280 155.3
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.