CID 585579

2-phenylsulfanylethenylsulfanylbenzene

Structural Information

Molecular Formula
C14H12S2
SMILES
C1=CC=C(C=C1)SC=CSC2=CC=CC=C2
InChI
InChI=1S/C14H12S2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-12H
InChIKey
UHGSEDVQATYWGI-UHFFFAOYSA-N
Compound name
2-phenylsulfanylethenylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

244.03804 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.04532 149.9
[M+Na]+ 267.02726 158.0
[M-H]- 243.03076 156.3
[M+NH4]+ 262.07186 168.0
[M+K]+ 283.00120 151.2
[M+H-H2O]+ 227.03530 143.3
[M+HCOO]- 289.03624 164.1
[M+CH3COO]- 303.05189 162.0
[M+Na-2H]- 265.01271 152.7
[M]+ 244.03749 151.3
[M]- 244.03859 151.3
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