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

144
Patents

168.0394 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04668 128.4
[M+Na]+ 191.02862 137.4
[M-H]- 167.03212 128.8
[M+NH4]+ 186.07322 147.9
[M+K]+ 207.00256 135.0
[M+H-H2O]+ 151.03666 122.8
[M+HCOO]- 213.03760 149.3
[M+CH3COO]- 227.05325 173.5
[M+Na-2H]- 189.01407 133.2
[M]+ 168.03885 126.8
[M]- 168.03995 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