CID 217201

38243-77-5

Structural Information

Molecular Formula
C10H6N4OS
SMILES
C1=CC=C2C(=C1)C(=S)C=C(O2)C3=NNN=N3
InChI
InChI=1S/C10H6N4OS/c16-9-5-8(10-11-13-14-12-10)15-7-4-2-1-3-6(7)9/h1-5H,(H,11,12,13,14)
InChIKey
FSDKGBPLTGBNOA-UHFFFAOYSA-N
Compound name
2-(2H-tetrazol-5-yl)chromene-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.02623 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.03351 145.4
[M+Na]+ 253.01545 159.3
[M-H]- 229.01895 148.9
[M+NH4]+ 248.06005 160.0
[M+K]+ 268.98939 154.0
[M+H-H2O]+ 213.02349 137.8
[M+HCOO]- 275.02443 161.4
[M+CH3COO]- 289.04008 158.6
[M+Na-2H]- 251.00090 151.9
[M]+ 230.02568 148.9
[M]- 230.02678 148.9
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.