CID 302479

94217-06-8

Structural Information

Molecular Formula
C10H14N2O3S2
SMILES
CC(C(=NCC1=CC=CC=C1)N)SS(=O)(=O)O
InChI
InChI=1S/C10H14N2O3S2/c1-8(16-17(13,14)15)10(11)12-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,11,12)(H,13,14,15)
InChIKey
QXROTHHPIPHXIO-UHFFFAOYSA-N
Compound name
[(1-amino-2-sulfosulfanylpropylidene)amino]methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0446 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.05188 158.9
[M+Na]+ 297.03382 164.0
[M-H]- 273.03732 160.9
[M+NH4]+ 292.07842 174.0
[M+K]+ 313.00776 159.3
[M+H-H2O]+ 257.04186 151.8
[M+HCOO]- 319.04280 170.5
[M+CH3COO]- 333.05845 197.0
[M+Na-2H]- 295.01927 160.3
[M]+ 274.04405 159.5
[M]- 274.04515 159.5
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.