CID 154578265

5-methyl-1h-pyrazole-4-sulfonyl fluoride

Structural Information

Molecular Formula
C4H5FN2O2S
SMILES
CC1=C(C=NN1)S(=O)(=O)F
InChI
InChI=1S/C4H5FN2O2S/c1-3-4(2-6-7-3)10(5,8)9/h2H,1H3,(H,6,7)
InChIKey
NSMXDIWSBVMGNH-UHFFFAOYSA-N
Compound name
5-methyl-1H-pyrazole-4-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.00557 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.01285 128.2
[M+Na]+ 186.99479 139.4
[M-H]- 162.99829 127.7
[M+NH4]+ 182.03939 148.1
[M+K]+ 202.96873 136.7
[M+H-H2O]+ 147.00283 122.0
[M+HCOO]- 209.00377 144.0
[M+CH3COO]- 223.01942 169.4
[M+Na-2H]- 184.98024 131.8
[M]+ 164.00502 128.6
[M]- 164.00612 128.6
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.