CID 53216489

4-borono-3,5-difluorobenzoic acid

Structural Information

Molecular Formula
C7H5BF2O4
SMILES
B(C1=C(C=C(C=C1F)C(=O)O)F)(O)O
InChI
InChI=1S/C7H5BF2O4/c9-4-1-3(7(11)12)2-5(10)6(4)8(13)14/h1-2,13-14H,(H,11,12)
InChIKey
QJZJINMQKWVLJB-UHFFFAOYSA-N
Compound name
4-borono-3,5-difluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

202.0249 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.03218 140.3
[M+Na]+ 225.01412 149.1
[M+NH4]+ 220.05872 144.9
[M+K]+ 240.98806 146.5
[M-H]- 201.01762 136.4
[M+Na-2H]- 222.99957 142.3
[M]+ 202.02435 139.9
[M]- 202.02545 139.9
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