CID 11287236

4-fluoro-3-(tetrazol-5-yl)phenylboronic acid

Structural Information

Molecular Formula
C7H6BFN4O2
SMILES
B(C1=CC(=C(C=C1)F)C2=NNN=N2)(O)O
InChI
InChI=1S/C7H6BFN4O2/c9-6-2-1-4(8(14)15)3-5(6)7-10-12-13-11-7/h1-3,14-15H,(H,10,11,12,13)
InChIKey
FELFJHZMQYCKPT-UHFFFAOYSA-N
Compound name
[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

208.05678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.06406 140.1
[M+Na]+ 231.04600 149.5
[M-H]- 207.04950 137.2
[M+NH4]+ 226.09060 153.2
[M+K]+ 247.01994 145.1
[M+H-H2O]+ 191.05404 130.8
[M+HCOO]- 253.05498 155.9
[M+CH3COO]- 267.07063 151.0
[M+Na-2H]- 229.03145 144.3
[M]+ 208.05623 136.3
[M]- 208.05733 136.3
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