CID 44717647

4-bromo-1-fluoronaphthalene-2-boronic acid

Structural Information

Molecular Formula
C10H7BBrFO2
SMILES
B(C1=C(C2=CC=CC=C2C(=C1)Br)F)(O)O
InChI
InChI=1S/C10H7BBrFO2/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,14-15H
InChIKey
MIBHKCPNOCVGJI-UHFFFAOYSA-N
Compound name
(4-bromo-1-fluoronaphthalen-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

267.97064 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.97792 148.8
[M+Na]+ 290.95986 161.0
[M-H]- 266.96336 152.7
[M+NH4]+ 286.00446 169.0
[M+K]+ 306.93380 148.9
[M+H-H2O]+ 250.96790 148.6
[M+HCOO]- 312.96884 165.6
[M+CH3COO]- 326.98449 190.2
[M+Na-2H]- 288.94531 155.1
[M]+ 267.97009 165.4
[M]- 267.97119 165.4
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