CID 64466895

3-fluoro-4-(4-methyl-1h-pyrazol-1-yl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H8ClFN2O2S
SMILES
CC1=CN(N=C1)C2=C(C=C(C=C2)S(=O)(=O)Cl)F
InChI
InChI=1S/C10H8ClFN2O2S/c1-7-5-13-14(6-7)10-3-2-8(4-9(10)12)17(11,15)16/h2-6H,1H3
InChIKey
KYUSOFYEUSLTIA-UHFFFAOYSA-N
Compound name
3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

273.9979 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.00518 157.4
[M+Na]+ 296.98712 170.6
[M+NH4]+ 292.03172 164.4
[M+K]+ 312.96106 164.3
[M-H]- 272.99062 157.7
[M+Na-2H]- 294.97257 163.5
[M]+ 273.99735 160.0
[M]- 273.99845 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.