CID 317334

3,4-dichloro-n-(2-thienylmethylene)aniline

Structural Information

Molecular Formula
C11H7Cl2NS
SMILES
C1=CSC(=C1)C=NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H7Cl2NS/c12-10-4-3-8(6-11(10)13)14-7-9-2-1-5-15-9/h1-7H
InChIKey
JTCHIHMXQKRIMK-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-1-thiophen-2-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.96762 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.97490 154.0
[M+Na]+ 277.95684 165.2
[M-H]- 253.96034 162.3
[M+NH4]+ 273.00144 175.3
[M+K]+ 293.93078 158.6
[M+H-H2O]+ 237.96488 149.0
[M+HCOO]- 299.96582 167.8
[M+CH3COO]- 313.98147 167.7
[M+Na-2H]- 275.94229 155.7
[M]+ 254.96707 159.2
[M]- 254.96817 159.2
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.