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
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 |