CID 11033775

475102-11-5

Structural Information

Molecular Formula
C13H15BClNO4
SMILES
B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC=C2Cl)(O)O
InChI
InChI=1S/C13H15BClNO4/c1-13(2,3)20-12(17)16-10-6-4-5-9(15)8(10)7-11(16)14(18)19/h4-7,18-19H,1-3H3
InChIKey
HUWASNXIUPJIJH-UHFFFAOYSA-N
Compound name
[4-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

295.07828 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.08556 163.3
[M+Na]+ 318.06750 173.5
[M-H]- 294.07100 165.1
[M+NH4]+ 313.11210 180.6
[M+K]+ 334.04144 169.4
[M+H-H2O]+ 278.07554 158.8
[M+HCOO]- 340.07648 176.9
[M+CH3COO]- 354.09213 195.3
[M+Na-2H]- 316.05295 166.1
[M]+ 295.07773 169.1
[M]- 295.07883 169.1
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