CID 23005426

(2-fluoro-4-propoxyphenyl)boronic acid

Structural Information

Molecular Formula
C9H12BFO3
SMILES
B(C1=C(C=C(C=C1)OCCC)F)(O)O
InChI
InChI=1S/C9H12BFO3/c1-2-5-14-7-3-4-8(10(12)13)9(11)6-7/h3-4,6,12-13H,2,5H2,1H3
InChIKey
TWMQLEDSDCTPRP-UHFFFAOYSA-N
Compound name
(2-fluoro-4-propoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

198.08635 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.09363 139.3
[M+Na]+ 221.07557 147.0
[M-H]- 197.07907 139.2
[M+NH4]+ 216.12017 157.6
[M+K]+ 237.04951 144.8
[M+H-H2O]+ 181.08361 133.1
[M+HCOO]- 243.08455 159.2
[M+CH3COO]- 257.10020 180.5
[M+Na-2H]- 219.06102 142.9
[M]+ 198.08580 139.1
[M]- 198.08690 139.1
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