CID 155821036

Methyl 4-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanoate

Structural Information

Molecular Formula
C11H20BClO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C(CCC(=O)OC)Cl
InChI
InChI=1S/C11H20BClO4/c1-10(2)11(3,4)17-12(16-10)8(13)6-7-9(14)15-5/h8H,6-7H2,1-5H3
InChIKey
YOCIPVSTYZCYNU-UHFFFAOYSA-N
Compound name
methyl 4-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.11432 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12160 152.5
[M+Na]+ 285.10354 160.7
[M-H]- 261.10704 157.5
[M+NH4]+ 280.14814 173.6
[M+K]+ 301.07748 161.3
[M+H-H2O]+ 245.11158 150.8
[M+HCOO]- 307.11252 166.7
[M+CH3COO]- 321.12817 194.4
[M+Na-2H]- 283.08899 156.3
[M]+ 262.11377 159.6
[M]- 262.11487 159.6
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.