CID 2779671

Furan-3-carbothioamide

Structural Information

Molecular Formula
C5H5NOS
SMILES
C1=COC=C1C(=S)N
InChI
InChI=1S/C5H5NOS/c6-5(8)4-1-2-7-3-4/h1-3H,(H2,6,8)
InChIKey
FHPWEMZQNZDEMS-UHFFFAOYSA-N
Compound name
furan-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

127.009186 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.016462 122.8
[M+Na]+ 149.998404 131.5
[M-H]- 126.001910 127.4
[M+NH4]+ 145.043009 145.4
[M+K]+ 165.972344 130.7
[M+H-H2O]+ 110.006446 117.9
[M+HCOO]- 172.007387 143.0
[M+CH3COO]- 186.023037 169.2
[M+Na-2H]- 147.983852 126.3
[M]+ 127.00863742 123.1
[M]- 127.00973458 123.1
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

patents stripe