CID 9578541

Brn 1131593

Structural Information

Molecular Formula
C16H10Cl2N2S
SMILES
C1=CC=C(C=C1)C2=CSC(=N2)/N=C/C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H10Cl2N2S/c17-13-7-6-11(8-14(13)18)9-19-16-20-15(10-21-16)12-4-2-1-3-5-12/h1-10H/b19-9+
InChIKey
MOGVGGVPTZXKMS-DJKKODMXSA-N
Compound name
(E)-1-(3,4-dichlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.99417 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.00145 174.5
[M+Na]+ 354.98339 186.0
[M-H]- 330.98689 184.4
[M+NH4]+ 350.02799 191.4
[M+K]+ 370.95733 177.9
[M+H-H2O]+ 314.99143 167.0
[M+HCOO]- 376.99237 186.9
[M+CH3COO]- 391.00802 186.7
[M+Na-2H]- 352.96884 175.4
[M]+ 331.99362 180.2
[M]- 331.99472 180.2
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.