CID 612177

2,2'-diaminodiphenylsulfide

Structural Information

Molecular Formula
C12H12N2S
SMILES
C1=CC=C(C(=C1)N)SC2=CC=CC=C2N
InChI
InChI=1S/C12H12N2S/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8H,13-14H2
InChIKey
WRRQKFXVKRQPDB-UHFFFAOYSA-N
Compound name
2-(2-aminophenyl)sulfanylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

818
Patents

216.07211 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.07939 144.6
[M+Na]+ 239.06133 152.7
[M-H]- 215.06483 150.8
[M+NH4]+ 234.10593 162.8
[M+K]+ 255.03527 147.1
[M+H-H2O]+ 199.06937 137.6
[M+HCOO]- 261.07031 165.2
[M+CH3COO]- 275.08596 157.3
[M+Na-2H]- 237.04678 148.2
[M]+ 216.07156 142.6
[M]- 216.07266 142.6
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

No patent data available for this compound.