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 152.6
[M+Na]+ 291.09298 164.1
[M-H]- 267.09648 160.7
[M+NH4]+ 286.13758 173.7
[M+K]+ 307.06692 162.2
[M+H-H2O]+ 251.10102 150.0
[M+HCOO]- 313.10196 167.8
[M+CH3COO]- 327.11761 194.7
[M+Na-2H]- 289.07843 157.1
[M]+ 268.10321 158.2
[M]- 268.10431 158.2
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