CID 17750230

1003298-84-7

Structural Information

Molecular Formula
C13H18BClO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)Cl)O)OC
InChI
InChI=1S/C13H18BClO4/c1-12(2)13(3,4)19-14(18-12)8-6-9(15)11(16)10(7-8)17-5/h6-7,16H,1-5H3
InChIKey
XBEJPOZGAPQFPL-UHFFFAOYSA-N
Compound name
2-chloro-6-methoxy-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

45
Patents

284.09866 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10594 155.4
[M+Na]+ 307.08788 166.8
[M-H]- 283.09138 163.5
[M+NH4]+ 302.13248 175.7
[M+K]+ 323.06182 165.4
[M+H-H2O]+ 267.09592 152.7
[M+HCOO]- 329.09686 170.8
[M+CH3COO]- 343.11251 196.9
[M+Na-2H]- 305.07333 160.1
[M]+ 284.09811 162.5
[M]- 284.09921 162.5
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