CID 19890

2h-1-benzopyran-2-thione

Structural Information

Molecular Formula
C9H6OS
SMILES
C1=CC=C2C(=C1)C=CC(=S)O2
InChI
InChI=1S/C9H6OS/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H
InChIKey
FRZDLTCXOSFHJC-UHFFFAOYSA-N
Compound name
chromene-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

511
Patents

162.01393 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.02121 125.7
[M+Na]+ 185.00315 136.4
[M-H]- 161.00665 131.9
[M+NH4]+ 180.04775 147.3
[M+K]+ 200.97709 134.0
[M+H-H2O]+ 145.01119 120.7
[M+HCOO]- 207.01213 144.9
[M+CH3COO]- 221.02778 140.9
[M+Na-2H]- 182.98860 134.4
[M]+ 162.01338 128.5
[M]- 162.01448 128.5
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

patents stripe