CID 9554815

Nsc201869

Structural Information

Molecular Formula
C15H11ClN2S
SMILES
C1CC2=C(C1)SC(=C2C#N)/N=C/C3=CC=CC=C3Cl
InChI
InChI=1S/C15H11ClN2S/c16-13-6-2-1-4-10(13)9-18-15-12(8-17)11-5-3-7-14(11)19-15/h1-2,4,6,9H,3,5,7H2/b18-9+
InChIKey
XSLKZOBOQKJJAW-GIJQJNRQSA-N
Compound name
2-[(E)-(2-chlorophenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.03314 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.04042 177.1
[M+Na]+ 309.02236 191.0
[M-H]- 285.02586 185.6
[M+NH4]+ 304.06696 197.6
[M+K]+ 324.99630 181.8
[M+H-H2O]+ 269.03040 165.2
[M+HCOO]- 331.03134 190.9
[M+CH3COO]- 345.04699 188.6
[M+Na-2H]- 307.00781 176.1
[M]+ 286.03259 176.3
[M]- 286.03369 176.3
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.