CID 137949482

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

Structural Information

Molecular Formula
C4H6FN3O2S
SMILES
CN1C=C(C(=N1)N)S(=O)(=O)F
InChI
InChI=1S/C4H6FN3O2S/c1-8-2-3(4(6)7-8)11(5,9)10/h2H,1H3,(H2,6,7)
InChIKey
WBKZTQJSVBDNNW-UHFFFAOYSA-N
Compound name
3-amino-1-methylpyrazole-4-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.01648 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.02376 131.5
[M+Na]+ 202.00570 143.0
[M-H]- 178.00920 132.2
[M+NH4]+ 197.05030 151.2
[M+K]+ 217.97964 140.6
[M+H-H2O]+ 162.01374 124.9
[M+HCOO]- 224.01468 149.1
[M+CH3COO]- 238.03033 177.4
[M+Na-2H]- 199.99115 134.5
[M]+ 179.01593 132.3
[M]- 179.01703 132.3
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.