CID 133666888

(5-chloro-3-fluoro-2-methoxyphenyl)boronic acid

Structural Information

Molecular Formula
C7H7BClFO3
SMILES
B(C1=CC(=CC(=C1OC)F)Cl)(O)O
InChI
InChI=1S/C7H7BClFO3/c1-13-7-5(8(11)12)2-4(9)3-6(7)10/h2-3,11-12H,1H3
InChIKey
UCYJGOYJJHKDIM-UHFFFAOYSA-N
Compound name
(5-chloro-3-fluoro-2-methoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.