CID 25067270

871329-64-5

Structural Information

Molecular Formula
C9H7BN2O2
SMILES
B(C1=CC2=C(N1)C=CC(=C2)C#N)(O)O
InChI
InChI=1S/C9H7BN2O2/c11-5-6-1-2-8-7(3-6)4-9(12-8)10(13)14/h1-4,12-14H
InChIKey
UALSJXICMYXRMN-UHFFFAOYSA-N
Compound name
(5-cyano-1H-indol-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

186.06006 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.06734 142.0
[M+Na]+ 209.04928 153.5
[M-H]- 185.05278 141.5
[M+NH4]+ 204.09388 159.4
[M+K]+ 225.02322 147.7
[M+H-H2O]+ 169.05732 129.8
[M+HCOO]- 231.05826 158.5
[M+CH3COO]- 245.07391 153.0
[M+Na-2H]- 207.03473 146.6
[M]+ 186.05951 135.9
[M]- 186.06061 135.9
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