CID 23423642

3-(phenylsulfanyl)aniline hydrochloride

Structural Information

Molecular Formula
C12H11NS
SMILES
C1=CC=C(C=C1)SC2=CC=CC(=C2)N
InChI
InChI=1S/C12H11NS/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H,13H2
InChIKey
JMYWFKZHEPVSIS-UHFFFAOYSA-N
Compound name
3-phenylsulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

194
Patents

201.06122 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.06850 140.6
[M+Na]+ 224.05044 148.8
[M-H]- 200.05394 147.2
[M+NH4]+ 219.09504 159.8
[M+K]+ 240.02438 143.8
[M+H-H2O]+ 184.05848 133.9
[M+HCOO]- 246.05942 161.0
[M+CH3COO]- 260.07507 153.9
[M+Na-2H]- 222.03589 145.5
[M]+ 201.06067 140.0
[M]- 201.06177 140.0
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