CID 217198

4h-1-benzopyran-2-carbonitrile, 4-thioxo-

Structural Information

Molecular Formula
C10H5NOS
SMILES
C1=CC=C2C(=C1)C(=S)C=C(O2)C#N
InChI
InChI=1S/C10H5NOS/c11-6-7-5-10(13)8-3-1-2-4-9(8)12-7/h1-5H
InChIKey
NVOWEWSIFTXYAN-UHFFFAOYSA-N
Compound name
4-sulfanylidenechromene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.00919 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.01647 140.7
[M+Na]+ 209.99841 154.3
[M-H]- 186.00191 146.5
[M+NH4]+ 205.04301 159.5
[M+K]+ 225.97235 149.8
[M+H-H2O]+ 170.00645 129.1
[M+HCOO]- 232.00739 156.1
[M+CH3COO]- 246.02304 153.8
[M+Na-2H]- 207.98386 147.2
[M]+ 187.00864 138.8
[M]- 187.00974 138.8
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.