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

0
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 154.5
[M+Na]+ 296.98712 167.4
[M-H]- 272.99062 159.0
[M+NH4]+ 292.03172 171.9
[M+K]+ 312.96106 161.9
[M+H-H2O]+ 256.99516 147.5
[M+HCOO]- 318.99610 166.8
[M+CH3COO]- 333.01175 191.7
[M+Na-2H]- 294.97257 156.4
[M]+ 273.99735 159.2
[M]- 273.99845 159.2
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.