CID 55252912

(4-cyano-2,5-difluorophenyl)boronic acid

Structural Information

Molecular Formula
C7H4BF2NO2
SMILES
B(C1=CC(=C(C=C1F)C#N)F)(O)O
InChI
InChI=1S/C7H4BF2NO2/c9-6-2-5(8(12)13)7(10)1-4(6)3-11/h1-2,12-13H
InChIKey
UQMRRVKHBGKIAF-UHFFFAOYSA-N
Compound name
(4-cyano-2,5-difluorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

183.03032 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.037596 130.9
[M+Na]+ 206.019538 142.0
[M-H]- 182.023044 130.2
[M+NH4]+ 201.064143 148.0
[M+K]+ 221.993478 138.9
[M+H-H2O]+ 166.027580 118.2
[M+HCOO]- 228.028521 147.2
[M+CH3COO]- 242.044171 190.2
[M+Na-2H]- 204.004986 134.3
[M]+ 183.02977142 122.9
[M]- 183.03086858 122.9
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