CID 44717531

874219-40-6

Structural Information

Molecular Formula
C11H13BFNO4
SMILES
B(C1=CC(=CC(=C1)F)C(=O)N2CCOCC2)(O)O
InChI
InChI=1S/C11H13BFNO4/c13-10-6-8(5-9(7-10)12(16)17)11(15)14-1-3-18-4-2-14/h5-7,16-17H,1-4H2
InChIKey
JTGJWGMJQRLWIY-UHFFFAOYSA-N
Compound name
[3-fluoro-5-(morpholine-4-carbonyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

253.09216 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09944 153.5
[M+Na]+ 276.08138 158.7
[M-H]- 252.08488 155.1
[M+NH4]+ 271.12598 166.0
[M+K]+ 292.05532 157.3
[M+H-H2O]+ 236.08942 145.1
[M+HCOO]- 298.09036 167.1
[M+CH3COO]- 312.10601 187.9
[M+Na-2H]- 274.06683 155.4
[M]+ 253.09161 148.5
[M]- 253.09271 148.5
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