CID 46738921

5-(cyclopropylcarbamoyl)-2-fluorophenylboronic acid

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

36
Patents

223.0816 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08888 138.7
[M+Na]+ 246.07082 147.0
[M-H]- 222.07432 142.7
[M+NH4]+ 241.11542 150.7
[M+K]+ 262.04476 143.0
[M+H-H2O]+ 206.07886 131.8
[M+HCOO]- 268.07980 159.2
[M+CH3COO]- 282.09545 189.6
[M+Na-2H]- 244.05627 142.1
[M]+ 223.08105 138.3
[M]- 223.08215 138.3
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