CID 167737046

(2-bromo-6-fluoro-4-formylphenyl)boronic acid

Structural Information

Molecular Formula
C7H5BBrFO3
SMILES
B(C1=C(C=C(C=C1Br)C=O)F)(O)O
InChI
InChI=1S/C7H5BBrFO3/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-3,12-13H
InChIKey
UMQWFOOWUYHAFZ-UHFFFAOYSA-N
Compound name
(2-bromo-6-fluoro-4-formylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.9499 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.95718 139.9
[M+Na]+ 268.93912 152.3
[M-H]- 244.94262 143.0
[M+NH4]+ 263.98372 159.9
[M+K]+ 284.91306 140.8
[M+H-H2O]+ 228.94716 139.6
[M+HCOO]- 290.94810 158.1
[M+CH3COO]- 304.96375 185.2
[M+Na-2H]- 266.92457 144.8
[M]+ 245.94935 157.0
[M]- 245.95045 157.0
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

No patent data available for this compound.