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]+ 236.04998 146.5
[M+Na]+ 258.03192 157.3
[M-H]- 234.03542 147.7
[M+NH4]+ 253.07652 164.3
[M+K]+ 274.00586 155.0
[M+H-H2O]+ 218.03996 139.7
[M+HCOO]- 280.04090 163.1
[M+CH3COO]- 294.05655 189.8
[M+Na-2H]- 256.01737 147.7
[M]+ 235.04215 149.8
[M]- 235.04325 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.