CID 43811074

1034566-16-9

Structural Information

Molecular Formula
C14H15BF3NO5
SMILES
B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)OC(F)(F)F)(O)O
InChI
InChI=1S/C14H15BF3NO5/c1-13(2,3)24-12(20)19-10-5-4-9(23-14(16,17)18)6-8(10)7-11(19)15(21)22/h4-7,21-22H,1-3H3
InChIKey
NXJYBHYZMYXEJG-UHFFFAOYSA-N
Compound name
[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(trifluoromethoxy)indol-2-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

345.09955 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.10683 172.8
[M+Na]+ 368.08877 182.0
[M-H]- 344.09227 170.6
[M+NH4]+ 363.13337 186.8
[M+K]+ 384.06271 179.6
[M+H-H2O]+ 328.09681 165.1
[M+HCOO]- 390.09775 185.9
[M+CH3COO]- 404.11340 204.7
[M+Na-2H]- 366.07422 175.2
[M]+ 345.09900 174.2
[M]- 345.10010 174.2
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