CID 53402576

909709-42-8

Structural Information

Molecular Formula
C15H16BFO2
SMILES
B(C1=C(C=C(C=C1)C2=CC=C(C=C2)CCC)F)(O)O
InChI
InChI=1S/C15H16BFO2/c1-2-3-11-4-6-12(7-5-11)13-8-9-14(16(18)19)15(17)10-13/h4-10,18-19H,2-3H2,1H3
InChIKey
XZGCBSYWWZAXRC-UHFFFAOYSA-N
Compound name
[2-fluoro-4-(4-propylphenyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

258.12274 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.13002 157.0
[M+Na]+ 281.11196 164.4
[M-H]- 257.11546 160.0
[M+NH4]+ 276.15656 172.7
[M+K]+ 297.08590 159.6
[M+H-H2O]+ 241.12000 149.3
[M+HCOO]- 303.12094 176.1
[M+CH3COO]- 317.13659 193.4
[M+Na-2H]- 279.09741 159.2
[M]+ 258.12219 155.3
[M]- 258.12329 155.3
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