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

12
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

literature stripe

Patent stripe

patents stripe