CID 67304768

874290-59-2

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 164.4
[M+Na]+ 312.08138 174.9
[M+NH4]+ 307.12598 169.9
[M+K]+ 328.05532 170.1
[M-H]- 288.08488 165.4
[M+Na-2H]- 310.06683 170.3
[M]+ 289.09161 165.8
[M]- 289.09271 165.8
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