CID 3077468

134399-14-7

Structural Information

Molecular Formula
C11H12ClN3OS
SMILES
CC(C(SC1=NNC(=N1)C2=CC=CC=C2)Cl)O
InChI
InChI=1S/C11H12ClN3OS/c1-7(16)9(12)17-11-13-10(14-15-11)8-5-3-2-4-6-8/h2-7,9,16H,1H3,(H,13,14,15)
InChIKey
WFYBHEOTAQYWJQ-UHFFFAOYSA-N
Compound name
1-chloro-1-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.03897 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.04625 157.3
[M+Na]+ 292.02819 169.5
[M+NH4]+ 287.07279 164.7
[M+K]+ 308.00213 163.6
[M-H]- 268.03169 158.4
[M+Na-2H]- 290.01364 163.2
[M]+ 269.03842 159.9
[M]- 269.03952 159.9
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.