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]+ 222.034316 142.5
[M+Na]+ 244.016258 152.9
[M-H]- 220.019764 143.5
[M+NH4]+ 239.060863 160.6
[M+K]+ 259.990198 150.8
[M+H-H2O]+ 204.024300 135.6
[M+HCOO]- 266.025241 159.5
[M+CH3COO]- 280.040891 185.5
[M+Na-2H]- 242.001706 144.8
[M]+ 221.02649142 145.1
[M]- 221.02758858 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.