CID 138987506

5-acetamido-1,3-dimethyl-1h-pyrazole-4-sulfonyl fluoride

Structural Information

Molecular Formula
C7H10FN3O3S
SMILES
CC1=NN(C(=C1S(=O)(=O)F)NC(=O)C)C
InChI
InChI=1S/C7H10FN3O3S/c1-4-6(15(8,13)14)7(9-5(2)12)11(3)10-4/h1-3H3,(H,9,12)
InChIKey
RZJWKZDVCFZHSX-UHFFFAOYSA-N
Compound name
5-acetamido-1,3-dimethylpyrazole-4-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.0427 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.049976 146.5
[M+Na]+ 258.031918 157.3
[M-H]- 234.035424 147.7
[M+NH4]+ 253.076523 164.3
[M+K]+ 274.005858 155.0
[M+H-H2O]+ 218.039960 139.7
[M+HCOO]- 280.040901 163.1
[M+CH3COO]- 294.056551 189.8
[M+Na-2H]- 256.017366 147.7
[M]+ 235.04215142 149.8
[M]- 235.04324858 149.8
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.