CID 23134177

851335-07-4

Structural Information

Molecular Formula
C7H6BFO4
SMILES
B(C1=C(C=C(C=C1)C(=O)O)F)(O)O
InChI
InChI=1S/C7H6BFO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,12-13H,(H,10,11)
InChIKey
TVNVDRMGOOLVOX-UHFFFAOYSA-N
Compound name
4-borono-3-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

221
Patents

184.03432 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04160 135.3
[M+Na]+ 207.02354 145.0
[M+NH4]+ 202.06814 140.9
[M+K]+ 222.99748 142.3
[M-H]- 183.02704 132.9
[M+Na-2H]- 205.00899 138.5
[M]+ 184.03377 135.5
[M]- 184.03487 135.5
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