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

31
Patents

339.02774 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.03502 170.3
[M+Na]+ 362.01696 182.2
[M-H]- 338.02046 174.5
[M+NH4]+ 357.06156 188.4
[M+K]+ 377.99090 171.4
[M+H-H2O]+ 322.02500 170.6
[M+HCOO]- 384.02594 186.1
[M+CH3COO]- 398.04159 200.8
[M+Na-2H]- 360.00241 174.1
[M]+ 339.02719 192.1
[M]- 339.02829 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