CID 208600

32550-64-4

Structural Information

Molecular Formula
C10H11N3O3S
SMILES
C1=CC=C(C=C1)CS(=O)(=O)C2=NC=NN2CO
InChI
InChI=1S/C10H11N3O3S/c14-8-13-10(11-7-12-13)17(15,16)6-9-4-2-1-3-5-9/h1-5,7,14H,6,8H2
InChIKey
WSIWXYZCCNZNAA-UHFFFAOYSA-N
Compound name
(5-benzylsulfonyl-1,2,4-triazol-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.05211 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.05939 154.5
[M+Na]+ 276.04133 164.5
[M-H]- 252.04483 156.9
[M+NH4]+ 271.08593 169.2
[M+K]+ 292.01527 160.4
[M+H-H2O]+ 236.04937 147.0
[M+HCOO]- 298.05031 170.1
[M+CH3COO]- 312.06596 185.5
[M+Na-2H]- 274.02678 158.4
[M]+ 253.05156 157.6
[M]- 253.05266 157.6
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.