CID 12875

4,4'-dithiodianiline

Structural Information

Molecular Formula
C12H12N2S2
SMILES
C1=CC(=CC=C1N)SSC2=CC=C(C=C2)N
InChI
InChI=1S/C12H12N2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H,13-14H2
InChIKey
MERLDGDYUMSLAY-UHFFFAOYSA-N
Compound name
4-[(4-aminophenyl)disulfanyl]aniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

3535
Patents

248.04419 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.051466 148.6
[M+Na]+ 271.033408 156.9
[M-H]- 247.036914 154.2
[M+NH4]+ 266.078013 165.6
[M+K]+ 287.007348 149.5
[M+H-H2O]+ 231.041450 141.7
[M+HCOO]- 293.042391 163.4
[M+CH3COO]- 307.058041 160.3
[M+Na-2H]- 269.018856 150.7
[M]+ 248.04364142 147.4
[M]- 248.04473858 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

literature stripe

Patent stripe

patents stripe