CID 3038060

28122-95-4

Structural Information

Molecular Formula
C11H8OS2
SMILES
C1=CC=C(C=C1)SC(=O)C2=CC=CS2
InChI
InChI=1S/C11H8OS2/c12-11(10-7-4-8-13-10)14-9-5-2-1-3-6-9/h1-8H
InChIKey
XZYGCCMNPDMMIU-UHFFFAOYSA-N
Compound name
S-phenyl thiophene-2-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

220.00166 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.00894 146.1
[M+Na]+ 242.99088 155.3
[M-H]- 218.99438 153.3
[M+NH4]+ 238.03548 167.1
[M+K]+ 258.96482 150.8
[M+H-H2O]+ 202.99892 140.5
[M+HCOO]- 264.99986 161.2
[M+CH3COO]- 279.01551 159.4
[M+Na-2H]- 240.97633 146.7
[M]+ 220.00111 148.5
[M]- 220.00221 148.5
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