CID 2782675

4-fluoro-1-naphthaleneboronic acid (contains varying amounts of anhydride)

Structural Information

Molecular Formula
C10H8BFO2
SMILES
B(C1=CC=C(C2=CC=CC=C12)F)(O)O
InChI
InChI=1S/C10H8BFO2/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6,13-14H
InChIKey
IDCGAEJGZLYEAZ-UHFFFAOYSA-N
Compound name
(4-fluoronaphthalen-1-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

190.06013 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.06741 135.0
[M+Na]+ 213.04935 143.8
[M-H]- 189.05285 136.1
[M+NH4]+ 208.09395 154.6
[M+K]+ 229.02329 140.1
[M+H-H2O]+ 173.05739 128.9
[M+HCOO]- 235.05833 154.3
[M+CH3COO]- 249.07398 178.9
[M+Na-2H]- 211.03480 141.5
[M]+ 190.05958 132.6
[M]- 190.06068 132.6
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