CID 268534

89434-49-1

Structural Information

Molecular Formula
C11H8N2S
SMILES
C1CC2=C(C=CS2)C(=C(C#N)C#N)C1
InChI
InChI=1S/C11H8N2S/c12-6-8(7-13)9-2-1-3-11-10(9)4-5-14-11/h4-5H,1-3H2
InChIKey
HPWLMNINCQCPAQ-UHFFFAOYSA-N
Compound name
2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

200.04082 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.048096 165.7
[M+Na]+ 223.030038 177.0
[M-H]- 199.033544 170.5
[M+NH4]+ 218.074643 181.0
[M+K]+ 239.003978 170.4
[M+H-H2O]+ 183.038080 151.4
[M+HCOO]- 245.039021 173.2
[M+CH3COO]- 259.054671 173.2
[M+Na-2H]- 221.015486 164.8
[M]+ 200.04027142 157.2
[M]- 200.04136858 157.2
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.