CID 155822530

Tert-butyl4-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanoate

Structural Information

Molecular Formula
C14H26BClO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C(CCC(=O)OC(C)(C)C)Cl
InChI
InChI=1S/C14H26BClO4/c1-12(2,3)18-11(17)9-8-10(16)15-19-13(4,5)14(6,7)20-15/h10H,8-9H2,1-7H3
InChIKey
HJSJFQPXXBJVTI-UHFFFAOYSA-N
Compound name
tert-butyl 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

304.16125 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.16853 164.2
[M+Na]+ 327.15047 171.7
[M-H]- 303.15397 169.1
[M+NH4]+ 322.19507 183.9
[M+K]+ 343.12441 172.2
[M+H-H2O]+ 287.15851 163.0
[M+HCOO]- 349.15945 176.0
[M+CH3COO]- 363.17510 203.1
[M+Na-2H]- 325.13592 167.9
[M]+ 304.16070 172.0
[M]- 304.16180 172.0
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.