CID 28401689

2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline

Structural Information

Molecular Formula
C8H7N3S2
SMILES
C1=CC=C(C(=C1)N)SC2=NN=CS2
InChI
InChI=1S/C8H7N3S2/c9-6-3-1-2-4-7(6)13-8-11-10-5-12-8/h1-5H,9H2
InChIKey
CJBSPMNTGXDOHJ-UHFFFAOYSA-N
Compound name
2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.00813 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.01541 138.1
[M+Na]+ 231.99735 149.0
[M-H]- 208.00085 142.6
[M+NH4]+ 227.04195 156.8
[M+K]+ 247.97129 143.6
[M+H-H2O]+ 192.00539 131.5
[M+HCOO]- 254.00633 152.7
[M+CH3COO]- 268.02198 151.2
[M+Na-2H]- 229.98280 140.1
[M]+ 209.00758 139.1
[M]- 209.00868 139.1
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.