CID 253148

2-hydrazinyl-5-phenyl-1,3,4-thiadiazole

Structural Information

Molecular Formula
C8H8N4S
SMILES
C1=CC=C(C=C1)C2=NN=C(S2)NN
InChI
InChI=1S/C8H8N4S/c9-10-8-12-11-7(13-8)6-4-2-1-3-5-6/h1-5H,9H2,(H,10,12)
InChIKey
COYPLZXSHTZYFQ-UHFFFAOYSA-N
Compound name
(5-phenyl-1,3,4-thiadiazol-2-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

192.04697 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.054246 135.8
[M+Na]+ 215.036188 145.1
[M-H]- 191.039694 140.3
[M+NH4]+ 210.080793 154.3
[M+K]+ 231.010128 140.9
[M+H-H2O]+ 175.044230 128.0
[M+HCOO]- 237.045171 156.8
[M+CH3COO]- 251.060821 149.1
[M+Na-2H]- 213.021636 140.8
[M]+ 192.04642142 135.0
[M]- 192.04751858 135.0
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

patents stripe