CID 165841707

3-bromo-1-methyl-1h-pyrazole-5-sulfonyl fluoride

Structural Information

Molecular Formula
C4H4BrFN2O2S
SMILES
CN1C(=CC(=N1)Br)S(=O)(=O)F
InChI
InChI=1S/C4H4BrFN2O2S/c1-8-4(11(6,9)10)2-3(5)7-8/h2H,1H3
InChIKey
CMVANALPYRELOJ-UHFFFAOYSA-N
Compound name
5-bromo-2-methylpyrazole-3-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.91609 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.92337 130.5
[M+Na]+ 264.90531 146.5
[M-H]- 240.90881 134.7
[M+NH4]+ 259.94991 152.2
[M+K]+ 280.87925 135.5
[M+H-H2O]+ 224.91335 130.6
[M+HCOO]- 286.91429 146.1
[M+CH3COO]- 300.92994 183.7
[M+Na-2H]- 262.89076 136.1
[M]+ 241.91554 151.7
[M]- 241.91664 151.7
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.