CID 138040656

3-acetamido-1-methyl-1h-pyrazole-4-sulfonyl fluoride

Structural Information

Molecular Formula
C6H8FN3O3S
SMILES
CC(=O)NC1=NN(C=C1S(=O)(=O)F)C
InChI
InChI=1S/C6H8FN3O3S/c1-4(11)8-6-5(14(7,12)13)3-10(2)9-6/h3H,1-2H3,(H,8,9,11)
InChIKey
LGCZUNOWFYBENJ-UHFFFAOYSA-N
Compound name
3-acetamido-1-methylpyrazole-4-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.02704 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.03432 142.5
[M+Na]+ 244.01626 152.9
[M-H]- 220.01976 143.5
[M+NH4]+ 239.06086 160.6
[M+K]+ 259.99020 150.8
[M+H-H2O]+ 204.02430 135.6
[M+HCOO]- 266.02524 159.5
[M+CH3COO]- 280.04089 185.5
[M+Na-2H]- 242.00171 144.8
[M]+ 221.02649 145.1
[M]- 221.02759 145.1
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.