CID 3073971

154106-11-3

Structural Information

Molecular Formula
C10H10ClN3O2S
SMILES
CN1C(=NC(=N1)C2=CC=C(C=C2)Cl)S(=O)(=O)C
InChI
InChI=1S/C10H10ClN3O2S/c1-14-10(17(2,15)16)12-9(13-14)7-3-5-8(11)6-4-7/h3-6H,1-2H3
InChIKey
KRHDSRWEONQVEF-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-1-methyl-5-methylsulfonyl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.01822 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.02550 159.0
[M+Na]+ 294.00744 173.1
[M+NH4]+ 289.05204 166.0
[M+K]+ 309.98138 166.9
[M-H]- 270.01094 160.0
[M+Na-2H]- 291.99289 165.4
[M]+ 271.01767 162.0
[M]- 271.01877 162.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.