CID 2794714

475102-13-7

Structural Information

Molecular Formula
C13H15BBrNO4
SMILES
B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)Br)(O)O
InChI
InChI=1S/C13H15BBrNO4/c1-13(2,3)20-12(17)16-10-5-4-9(15)6-8(10)7-11(16)14(18)19/h4-7,18-19H,1-3H3
InChIKey
RBYTXZMVOGZESQ-UHFFFAOYSA-N
Compound name
[5-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

339.02774 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.035016 170.3
[M+Na]+ 362.016958 182.2
[M-H]- 338.020464 174.5
[M+NH4]+ 357.061563 188.4
[M+K]+ 377.990898 171.4
[M+H-H2O]+ 322.025000 170.6
[M+HCOO]- 384.025941 186.1
[M+CH3COO]- 398.041591 200.8
[M+Na-2H]- 360.002406 174.1
[M]+ 339.02719142 192.1
[M]- 339.02828858 192.1
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