CID 135429863

Nsc201852

Structural Information

Molecular Formula
C15H10Cl2N2OS
SMILES
C1CC2=C(C1)SC(=C2C#N)/N=C/C3=C(C(=CC(=C3)Cl)Cl)O
InChI
InChI=1S/C15H10Cl2N2OS/c16-9-4-8(14(20)12(17)5-9)7-19-15-11(6-18)10-2-1-3-13(10)21-15/h4-5,7,20H,1-3H2/b19-7+
InChIKey
ZLCCXOOZFJEICE-FBCYGCLPSA-N
Compound name
2-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

335.98907 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.99635 188.3
[M+Na]+ 358.97829 203.2
[M-H]- 334.98179 195.7
[M+NH4]+ 354.02289 207.2
[M+K]+ 374.95223 193.1
[M+H-H2O]+ 318.98633 178.0
[M+HCOO]- 380.98727 196.3
[M+CH3COO]- 395.00292 198.8
[M+Na-2H]- 356.96374 185.3
[M]+ 335.98852 188.8
[M]- 335.98962 188.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.