CID 4372775

1072952-09-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

184.03432 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04160 132.1
[M+Na]+ 207.02354 140.2
[M-H]- 183.02704 131.0
[M+NH4]+ 202.06814 150.0
[M+K]+ 222.99748 138.0
[M+H-H2O]+ 167.03158 126.4
[M+HCOO]- 229.03252 150.6
[M+CH3COO]- 243.04817 174.2
[M+Na-2H]- 205.00899 135.1
[M]+ 184.03377 129.4
[M]- 184.03487 129.4
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