CID 167715165

2913279-47-5

Structural Information

Molecular Formula
C5H7BrN2O2S
SMILES
CCN1C(=CC(=N1)Br)S(=O)O
InChI
InChI=1S/C5H7BrN2O2S/c1-2-8-5(11(9)10)3-4(6)7-8/h3H,2H2,1H3,(H,9,10)
InChIKey
ZHPDRJQOHBNBMD-UHFFFAOYSA-N
Compound name
5-bromo-2-ethylpyrazole-3-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.94116 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.94844 131.6
[M+Na]+ 260.93038 145.9
[M-H]- 236.93388 135.5
[M+NH4]+ 255.97498 152.8
[M+K]+ 276.90432 134.9
[M+H-H2O]+ 220.93842 132.1
[M+HCOO]- 282.93936 146.8
[M+CH3COO]- 296.95501 182.9
[M+Na-2H]- 258.91583 135.3
[M]+ 237.94061 153.1
[M]- 237.94171 153.1
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.