CID 56951405

1331945-14-2

Structural Information

Molecular Formula
C7H8BFO3
SMILES
B(C1=C(C=C(C=C1)CO)F)(O)O
InChI
InChI=1S/C7H8BFO3/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-3,10-12H,4H2
InChIKey
YPJXLOUZOVHAIZ-UHFFFAOYSA-N
Compound name
[2-fluoro-4-(hydroxymethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

170.05505 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06233 130.6
[M+Na]+ 193.04427 138.8
[M-H]- 169.04777 129.5
[M+NH4]+ 188.08887 149.3
[M+K]+ 209.01821 136.1
[M+H-H2O]+ 153.05231 125.0
[M+HCOO]- 215.05325 149.7
[M+CH3COO]- 229.06890 171.9
[M+Na-2H]- 191.02972 134.8
[M]+ 170.05450 127.8
[M]- 170.05560 127.8
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

No patent data available for this compound.