CID 44119594

6-chloro-1-methyl-1h-indole-2-boronic acid

Structural Information

Molecular Formula
C9H9BClNO2
SMILES
B(C1=CC2=C(N1C)C=C(C=C2)Cl)(O)O
InChI
InChI=1S/C9H9BClNO2/c1-12-8-5-7(11)3-2-6(8)4-9(12)10(13)14/h2-5,13-14H,1H3
InChIKey
HAKQDXBWDPGHDD-UHFFFAOYSA-N
Compound name
(6-chloro-1-methylindol-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

209.04149 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.04877 139.3
[M+Na]+ 232.03071 151.1
[M-H]- 208.03421 141.1
[M+NH4]+ 227.07531 160.1
[M+K]+ 248.00465 146.1
[M+H-H2O]+ 192.03875 134.9
[M+HCOO]- 254.03969 156.3
[M+CH3COO]- 268.05534 180.6
[M+Na-2H]- 230.01616 144.2
[M]+ 209.04094 142.8
[M]- 209.04204 142.8
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