CID 145875929

2137558-21-3

Structural Information

Molecular Formula
C10H9ClFN3O2S
SMILES
CS(=O)(=O)C1=CN(N=C1)C2=NC=CC(=C2F)CCl
InChI
InChI=1S/C10H9ClFN3O2S/c1-18(16,17)8-5-14-15(6-8)10-9(12)7(4-11)2-3-13-10/h2-3,5-6H,4H2,1H3
InChIKey
QJMVXVFIFQAUOA-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.0088 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.01608 158.7
[M+Na]+ 311.99802 171.6
[M-H]- 288.00152 161.7
[M+NH4]+ 307.04262 174.1
[M+K]+ 327.97196 165.9
[M+H-H2O]+ 272.00606 150.8
[M+HCOO]- 334.00700 169.7
[M+CH3COO]- 348.02265 194.6
[M+Na-2H]- 309.98347 160.4
[M]+ 289.00825 163.7
[M]- 289.00935 163.7
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.