CID 135742463

3-bromo-1-methyl-1h-indazol-4-ol

Structural Information

Molecular Formula
C8H7BrN2O
SMILES
CN1C2=C(C(=CC=C2)O)C(=N1)Br
InChI
InChI=1S/C8H7BrN2O/c1-11-5-3-2-4-6(12)7(5)8(9)10-11/h2-4,12H,1H3
InChIKey
SVUYERHMPBGENR-UHFFFAOYSA-N
Compound name
3-bromo-1-methylindazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.97418 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.981456 137.6
[M+Na]+ 248.963398 153.1
[M-H]- 224.966904 142.4
[M+NH4]+ 244.008003 159.9
[M+K]+ 264.937338 141.6
[M+H-H2O]+ 208.971440 137.9
[M+HCOO]- 270.972381 158.4
[M+CH3COO]- 284.988031 153.8
[M+Na-2H]- 246.948846 146.2
[M]+ 225.97363142 158.5
[M]- 225.97472858 158.5
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.