CID 74888622

2-chloro-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

Structural Information

Molecular Formula
C13H18BClO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)Cl)O)C
InChI
InChI=1S/C13H18BClO3/c1-8-6-9(7-10(15)11(8)16)14-17-12(2,3)13(4,5)18-14/h6-7,16H,1-5H3
InChIKey
BJPAILIPFMVCBM-UHFFFAOYSA-N
Compound name
2-chloro-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

268.10376 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11104 153.6
[M+Na]+ 291.09298 167.4
[M+NH4]+ 286.13758 164.7
[M+K]+ 307.06692 160.0
[M-H]- 267.09648 159.2
[M+Na-2H]- 289.07843 161.2
[M]+ 268.10321 157.9
[M]- 268.10431 157.9
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

patents stripe