CID 11480451

Furan-2-carbothioic o-acid

Structural Information

Molecular Formula
C5H4O2S
SMILES
C1=COC(=C1)C(=O)S
InChI
InChI=1S/C5H4O2S/c6-5(8)4-2-1-3-7-4/h1-3H,(H,6,8)
InChIKey
KXXALFSFISKXFX-UHFFFAOYSA-N
Compound name
furan-2-carbothioic S-acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

224
Patents

127.9932 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.00048 121.2
[M+Na]+ 150.98242 130.8
[M-H]- 126.98592 126.5
[M+NH4]+ 146.02702 144.5
[M+K]+ 166.95636 131.2
[M+H-H2O]+ 110.99046 116.9
[M+HCOO]- 172.99140 141.5
[M+CH3COO]- 187.00705 167.2
[M+Na-2H]- 148.96787 125.5
[M]+ 127.99265 124.8
[M]- 127.99375 124.8
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.