CID 16414173

2-fluoro-3-methylphenylboronic acid

Structural Information

Molecular Formula
C7H8BFO2
SMILES
B(C1=C(C(=CC=C1)C)F)(O)O
InChI
InChI=1S/C7H8BFO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,10-11H,1H3
InChIKey
VEHQHYJZLSODOU-UHFFFAOYSA-N
Compound name
(2-fluoro-3-methylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

281
Patents

154.06013 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.06741 126.8
[M+Na]+ 177.04935 135.5
[M-H]- 153.05285 127.2
[M+NH4]+ 172.09395 147.0
[M+K]+ 193.02329 133.3
[M+H-H2O]+ 137.05739 121.3
[M+HCOO]- 199.05833 147.2
[M+CH3COO]- 213.07398 172.3
[M+Na-2H]- 175.03480 131.6
[M]+ 154.05958 124.4
[M]- 154.06068 124.4
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