CID 2777138

Furan-2-carbothioamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

95
Patents

127.009186 Da
Monoisotopic Mass

0.5
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

literature stripe

Patent stripe

patents stripe