CID 2734660

3-chloro-4-fluorophenylboronic acid (contains varying amounts of anhydride)

Structural Information

Molecular Formula
C6H5BClFO2
SMILES
B(C1=CC(=C(C=C1)F)Cl)(O)O
InChI
InChI=1S/C6H5BClFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,10-11H
InChIKey
WJDZZXIDQYKVDG-UHFFFAOYSA-N
Compound name
(3-chloro-4-fluorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3106
Patents

174.00551 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.012786 126.7
[M+Na]+ 196.994728 136.6
[M-H]- 172.998234 127.1
[M+NH4]+ 192.039333 146.9
[M+K]+ 212.968668 132.6
[M+H-H2O]+ 157.002770 122.4
[M+HCOO]- 219.003711 143.0
[M+CH3COO]- 233.019361 173.2
[M+Na-2H]- 194.980176 131.7
[M]+ 174.00496142 126.0
[M]- 174.00605858 126.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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