CID 57497322

1451392-27-0

Structural Information

Molecular Formula

C₈H₁₀BClO₄

SMILES

B(C1=CC(=C(C=C1)OCOC)Cl)(O)O

InChI

InChI=1S/C8H10BClO4/c1-13-5-14-8-3-2-6(9(11)12)4-7(8)10/h2-4,11-12H,5H2,1H3

InChIKey

ISTZDEQGOZACDO-UHFFFAOYSA-N

Compound name

[3-chloro-4-(methoxymethoxy)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 216.03607 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	217.04335	139.3
[M+Na]+	239.02529	148.1
[M-H]-	215.02879	140.7
[M+NH4]+	234.06989	157.8
[M+K]+	254.99923	145.2
[M+H-H2O]+	199.03333	135.0
[M+HCOO]-	261.03427	156.4
[M+CH3COO]-	275.04992	180.7
[M+Na-2H]-	237.01074	143.9
[M]+	216.03552	143.4
[M]-	216.03662	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe