CID 44129706

4-chloro-2-fluoro-3-methoxyphenylboronic acid

Structural Information

Molecular Formula
C7H7BClFO3
SMILES
B(C1=C(C(=C(C=C1)Cl)OC)F)(O)O
InChI
InChI=1S/C7H7BClFO3/c1-13-7-5(9)3-2-4(6(7)10)8(11)12/h2-3,11-12H,1H3
InChIKey
GDJCQSNQOHRAGY-UHFFFAOYSA-N
Compound name
(4-chloro-2-fluoro-3-methoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

290
Patents

204.01608 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.02336 133.5
[M+Na]+ 227.00530 143.9
[M-H]- 203.00880 134.1
[M+NH4]+ 222.04990 152.9
[M+K]+ 242.97924 140.3
[M+H-H2O]+ 187.01334 129.1
[M+HCOO]- 249.01428 149.7
[M+CH3COO]- 263.02993 179.5
[M+Na-2H]- 224.99075 137.4
[M]+ 204.01553 135.1
[M]- 204.01663 135.1
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

patents stripe