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

14
Patents

127.009186 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.01646 122.8
[M+Na]+ 149.99840 131.5
[M-H]- 126.00191 127.4
[M+NH4]+ 145.04301 145.4
[M+K]+ 165.97234 130.7
[M+H-H2O]+ 110.00645 117.9
[M+HCOO]- 172.00739 143.0
[M+CH3COO]- 186.02304 169.2
[M+Na-2H]- 147.98385 126.3
[M]+ 127.00864 123.1
[M]- 127.00973 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