CID 75487013

1799974-98-3

Structural Information

Molecular Formula
C13H18BClO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)Cl)CO
InChI
InChI=1S/C13H18BClO3/c1-12(2)13(3,4)18-14(17-12)10-5-6-11(15)9(7-10)8-16/h5-7,16H,8H2,1-4H3
InChIKey
PSSMJUJQLCKZAW-UHFFFAOYSA-N
Compound name
[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

268.10376 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11104 153.9
[M+Na]+ 291.09298 164.6
[M-H]- 267.09648 161.6
[M+NH4]+ 286.13758 174.7
[M+K]+ 307.06692 162.5
[M+H-H2O]+ 251.10102 150.9
[M+HCOO]- 313.10196 169.1
[M+CH3COO]- 327.11761 193.4
[M+Na-2H]- 289.07843 158.9
[M]+ 268.10321 159.1
[M]- 268.10431 159.1
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.