CID 42383

57494-91-4

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]+ 210.01541 138.7
[M+Na]+ 231.99735 149.3
[M-H]- 208.00085 145.7
[M+NH4]+ 227.04195 158.9
[M+K]+ 247.97129 144.0
[M+H-H2O]+ 192.00539 131.9
[M+HCOO]- 254.00633 156.8
[M+CH3COO]- 268.02198 152.5
[M+Na-2H]- 229.98280 141.7
[M]+ 209.00758 139.4
[M]- 209.00868 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.