CID 42383

Dtxsid20973025

Structural Information

Molecular Formula
C8H7N3S2
SMILES
C1=CC=C(C=C1)N=C2N=C(SS2)N
InChI
InChI=1S/C8H7N3S2/c9-7-11-8(13-12-7)10-6-4-2-1-3-5-6/h1-5H,(H2,9,10,11)
InChIKey
SAPDXGHAYNDXOP-UHFFFAOYSA-N
Compound name
5-phenylimino-1,2,4-dithiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

209.00813 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.015406 138.7
[M+Na]+ 231.997348 149.3
[M-H]- 208.000854 145.7
[M+NH4]+ 227.041953 158.9
[M+K]+ 247.971288 144.0
[M+H-H2O]+ 192.005390 131.9
[M+HCOO]- 254.006331 156.8
[M+CH3COO]- 268.021981 152.5
[M+Na-2H]- 229.982796 141.7
[M]+ 209.00758142 139.4
[M]- 209.00867858 139.4
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

No patent data available for this compound.