CID 46839983

(1h-indazol-7-yl)boronic acid

Structural Information

Molecular Formula
C7H7BN2O2
SMILES
B(C1=C2C(=CC=C1)C=NN2)(O)O
InChI
InChI=1S/C7H7BN2O2/c11-8(12)6-3-1-2-5-4-9-10-7(5)6/h1-4,11-12H,(H,9,10)
InChIKey
QAHHYPPRKWNXHT-UHFFFAOYSA-N
Compound name
1H-indazol-7-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

162.06006 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06734 129.2
[M+Na]+ 185.04928 138.9
[M-H]- 161.05278 128.0
[M+NH4]+ 180.09388 148.3
[M+K]+ 201.02322 135.1
[M+H-H2O]+ 145.05732 123.2
[M+HCOO]- 207.05826 148.7
[M+CH3COO]- 221.07391 142.2
[M+Na-2H]- 183.03473 136.5
[M]+ 162.05951 127.9
[M]- 162.06061 127.9
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