CID 46738921

874289-54-0

Structural Information

Molecular Formula
C10H11BFNO3
SMILES
B(C1=C(C=CC(=C1)C(=O)NC2CC2)F)(O)O
InChI
InChI=1S/C10H11BFNO3/c12-9-4-1-6(5-8(9)11(15)16)10(14)13-7-2-3-7/h1,4-5,7,15-16H,2-3H2,(H,13,14)
InChIKey
YKVYXPNIWCYXCI-UHFFFAOYSA-N
Compound name
[5-(cyclopropylcarbamoyl)-2-fluorophenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

223.0816 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08888 148.8
[M+Na]+ 246.07082 159.0
[M+NH4]+ 241.11542 155.4
[M+K]+ 262.04476 156.7
[M-H]- 222.07432 155.8
[M+Na-2H]- 244.05627 155.6
[M]+ 223.08105 152.9
[M]- 223.08215 152.9
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