CID 23171177

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

Structural Information

Molecular Formula
C8H7N3S2
SMILES
C1=CC(=CC=C1N)SC2=NN=CS2
InChI
InChI=1S/C8H7N3S2/c9-6-1-3-7(4-2-6)13-8-11-10-5-12-8/h1-5H,9H2
InChIKey
XQYYWSFSSCBHGH-UHFFFAOYSA-N
Compound name
4-(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]+ 210.015406 138.1
[M+Na]+ 231.997348 149.0
[M-H]- 208.000854 142.6
[M+NH4]+ 227.041953 156.8
[M+K]+ 247.971288 143.6
[M+H-H2O]+ 192.005390 131.5
[M+HCOO]- 254.006331 152.7
[M+CH3COO]- 268.021981 151.2
[M+Na-2H]- 229.982796 140.1
[M]+ 209.00758142 139.1
[M]- 209.00867858 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.