CID 3077466

134399-10-3

Structural Information

Molecular Formula
C5H8ClN3OS
SMILES
CC(C(SC1=NC=NN1)Cl)O
InChI
InChI=1S/C5H8ClN3OS/c1-3(10)4(6)11-5-7-2-8-9-5/h2-4,10H,1H3,(H,7,8,9)
InChIKey
RSBJWCDFCOHJAI-UHFFFAOYSA-N
Compound name
1-chloro-1-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.00766 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.01494 136.0
[M+Na]+ 215.99688 144.6
[M-H]- 192.00038 133.4
[M+NH4]+ 211.04148 153.2
[M+K]+ 231.97082 140.9
[M+H-H2O]+ 176.00492 129.9
[M+HCOO]- 238.00586 144.1
[M+CH3COO]- 252.02151 173.9
[M+Na-2H]- 213.98233 136.6
[M]+ 193.00711 137.0
[M]- 193.00821 137.0
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

No patent data available for this compound.