CID 67304768

4-(benzyloxycarbonylamino)-2-fluorophenylboronic acid

Structural Information

Molecular Formula
C14H13BFNO4
SMILES
B(C1=C(C=C(C=C1)NC(=O)OCC2=CC=CC=C2)F)(O)O
InChI
InChI=1S/C14H13BFNO4/c16-13-8-11(6-7-12(13)15(19)20)17-14(18)21-9-10-4-2-1-3-5-10/h1-8,19-20H,9H2,(H,17,18)
InChIKey
MPXQYNYBUZHTMR-UHFFFAOYSA-N
Compound name
[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

289.09216 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09944 161.9
[M+Na]+ 312.08138 167.7
[M-H]- 288.08488 164.7
[M+NH4]+ 307.12598 175.4
[M+K]+ 328.05532 164.4
[M+H-H2O]+ 272.08942 153.4
[M+HCOO]- 334.09036 182.0
[M+CH3COO]- 348.10601 197.5
[M+Na-2H]- 310.06683 164.6
[M]+ 289.09161 160.1
[M]- 289.09271 160.1
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