CID 303822

13338-52-8

Structural Information

Molecular Formula
C7H10N2O3S3
SMILES
C1=CSC(=C1)CN=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C7H10N2O3S3/c8-7(5-14-15(10,11)12)9-4-6-2-1-3-13-6/h1-3H,4-5H2,(H2,8,9)(H,10,11,12)
InChIKey
YAYHLUGBOYJMDE-UHFFFAOYSA-N
Compound name
2-[[(1-amino-2-sulfosulfanylethylidene)amino]methyl]thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.98535 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.99263 157.8
[M+Na]+ 288.97457 164.5
[M-H]- 264.97807 159.3
[M+NH4]+ 284.01917 174.7
[M+K]+ 304.94851 158.2
[M+H-H2O]+ 248.98261 151.4
[M+HCOO]- 310.98355 165.8
[M+CH3COO]- 324.99920 192.8
[M+Na-2H]- 286.96002 158.4
[M]+ 265.98480 158.1
[M]- 265.98590 158.1
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.