CID 165605146

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

Structural Information

Molecular Formula
C5H6BrFN2O2S
SMILES
CC1=C(C(=NN1C)Br)S(=O)(=O)F
InChI
InChI=1S/C5H6BrFN2O2S/c1-3-4(12(7,10)11)5(6)8-9(3)2/h1-2H3
InChIKey
LIMYJVCSSBOTHZ-UHFFFAOYSA-N
Compound name
3-bromo-1,5-dimethylpyrazole-4-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.93175 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.93903 134.3
[M+Na]+ 278.92097 150.7
[M-H]- 254.92447 138.7
[M+NH4]+ 273.96557 155.7
[M+K]+ 294.89491 139.4
[M+H-H2O]+ 238.92901 134.4
[M+HCOO]- 300.92995 149.6
[M+CH3COO]- 314.94560 187.6
[M+Na-2H]- 276.90642 138.9
[M]+ 255.93120 156.2
[M]- 255.93230 156.2
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.