CID 10823499

Methyl(4-(phenylthio)phenyl)sulfane

Structural Information

Molecular Formula
C13H12S2
SMILES
CSC1=CC=C(C=C1)SC2=CC=CC=C2
InChI
InChI=1S/C13H12S2/c1-14-11-7-9-13(10-8-11)15-12-5-3-2-4-6-12/h2-10H,1H3
InChIKey
SAOJDDYWGYSVTO-UHFFFAOYSA-N
Compound name
1-methylsulfanyl-4-phenylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

232.03804 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.04532 145.5
[M+Na]+ 255.02726 154.5
[M-H]- 231.03076 152.3
[M+NH4]+ 250.07186 164.4
[M+K]+ 271.00120 148.4
[M+H-H2O]+ 215.03530 139.1
[M+HCOO]- 277.03624 159.7
[M+CH3COO]- 291.05189 158.4
[M+Na-2H]- 253.01271 148.2
[M]+ 232.03749 147.8
[M]- 232.03859 147.8
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