CID 16217829

2-fluoro-3-formylphenylboronic acid (contains varying amounts of anhydride)

Structural Information

Molecular Formula
C7H6BFO3
SMILES
B(C1=C(C(=CC=C1)C=O)F)(O)O
InChI
InChI=1S/C7H6BFO3/c9-7-5(4-10)2-1-3-6(7)8(11)12/h1-4,11-12H
InChIKey
YJXJCPZHXDDRNH-UHFFFAOYSA-N
Compound name
(2-fluoro-3-formylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

168.0394 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.046676 128.4
[M+Na]+ 191.028618 137.4
[M-H]- 167.032124 128.8
[M+NH4]+ 186.073223 147.9
[M+K]+ 207.002558 135.0
[M+H-H2O]+ 151.036660 122.8
[M+HCOO]- 213.037601 149.3
[M+CH3COO]- 227.053251 173.5
[M+Na-2H]- 189.014066 133.2
[M]+ 168.03885142 126.8
[M]- 168.03994858 126.8
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

patents stripe