CID 480033

S-ethyl thiophene-2-carbothioate

Structural Information

Molecular Formula
C7H8OS2
SMILES
CCSC(=O)C1=CC=CS1
InChI
InChI=1S/C7H8OS2/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3
InChIKey
PDQHXYFSXUGXLE-UHFFFAOYSA-N
Compound name
S-ethyl thiophene-2-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

172.00166 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.00894 134.4
[M+Na]+ 194.99088 143.4
[M-H]- 170.99438 138.5
[M+NH4]+ 190.03548 157.4
[M+K]+ 210.96482 140.5
[M+H-H2O]+ 154.99892 129.5
[M+HCOO]- 216.99986 148.7
[M+CH3COO]- 231.01551 175.7
[M+Na-2H]- 192.97633 134.2
[M]+ 172.00111 137.6
[M]- 172.00221 137.6
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.