CID 14358

1141-88-4

Structural Information

Molecular Formula
C12H12N2S2
SMILES
C1=CC=C(C(=C1)N)SSC2=CC=CC=C2N
InChI
InChI=1S/C12H12N2S2/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8H,13-14H2
InChIKey
YYYOQURZQWIILK-UHFFFAOYSA-N
Compound name
2-[(2-aminophenyl)disulfanyl]aniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

19
References

2946
Patents

248.04419 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.05147 148.6
[M+Na]+ 271.03341 156.9
[M-H]- 247.03691 154.2
[M+NH4]+ 266.07801 165.6
[M+K]+ 287.00735 149.5
[M+H-H2O]+ 231.04145 141.7
[M+HCOO]- 293.04239 163.4
[M+CH3COO]- 307.05804 160.3
[M+Na-2H]- 269.01886 150.7
[M]+ 248.04364 147.4
[M]- 248.04474 147.4
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.