CID 12292863

5-ethylthiophene-2-thiol

Structural Information

Molecular Formula
C6H8S2
SMILES
CCC1=CC=C(S1)S
InChI
InChI=1S/C6H8S2/c1-2-5-3-4-6(7)8-5/h3-4,7H,2H2,1H3
InChIKey
UCSKCCDDRHOLEP-UHFFFAOYSA-N
Compound name
5-ethylthiophene-2-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

144.00674 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.01402 124.8
[M+Na]+ 166.99596 135.3
[M-H]- 142.99946 129.4
[M+NH4]+ 162.04056 149.4
[M+K]+ 182.96990 132.4
[M+H-H2O]+ 127.00400 120.5
[M+HCOO]- 189.00494 140.0
[M+CH3COO]- 203.02059 172.8
[M+Na-2H]- 164.98141 125.4
[M]+ 144.00619 128.1
[M]- 144.00729 128.1
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