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

26
Patents

339.02774 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.03502 169.3
[M+Na]+ 362.01696 170.5
[M+NH4]+ 357.06156 171.5
[M+K]+ 377.99090 174.5
[M-H]- 338.02046 166.6
[M+Na-2H]- 360.00241 168.9
[M]+ 339.02719 167.3
[M]- 339.02829 167.3
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