CID 3517812

2,3-difluoro-4-formylphenylboronic acid

Structural Information

Molecular Formula
C7H5BF2O3
SMILES
B(C1=C(C(=C(C=C1)C=O)F)F)(O)O
InChI
InChI=1S/C7H5BF2O3/c9-6-4(3-11)1-2-5(7(6)10)8(12)13/h1-3,12-13H
InChIKey
LZNNBOWURANFDS-UHFFFAOYSA-N
Compound name
(2,3-difluoro-4-formylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

110
Patents

186.02998 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.03726 130.4
[M+Na]+ 209.01920 140.3
[M-H]- 185.02270 129.7
[M+NH4]+ 204.06380 149.3
[M+K]+ 224.99314 137.5
[M+H-H2O]+ 169.02724 123.9
[M+HCOO]- 231.02818 150.1
[M+CH3COO]- 245.04383 177.6
[M+Na-2H]- 207.00465 133.9
[M]+ 186.02943 128.0
[M]- 186.03053 128.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe