CID 23088467

705264-93-3

Structural Information

Molecular Formula
C8H7BrN2O
SMILES
C1=CC2=NNC(=C2C=C1Br)CO
InChI
InChI=1S/C8H7BrN2O/c9-5-1-2-7-6(3-5)8(4-12)11-10-7/h1-3,12H,4H2,(H,10,11)
InChIKey
KJJNZBMXSXIESR-UHFFFAOYSA-N
Compound name
(5-bromo-2H-indazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

225.97418 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.981456 138.6
[M+Na]+ 248.963398 152.7
[M-H]- 224.966904 141.7
[M+NH4]+ 244.008003 159.8
[M+K]+ 264.937338 140.4
[M+H-H2O]+ 208.971440 138.8
[M+HCOO]- 270.972381 158.0
[M+CH3COO]- 284.988031 153.8
[M+Na-2H]- 246.948846 147.4
[M]+ 225.97363142 157.3
[M]- 225.97472858 157.3
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

patents stripe