CID 133668385

3-[3-chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]azetidine hydrochloride

Structural Information

Molecular Formula
C15H21BClNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C3CNC3)Cl
InChI
InChI=1S/C15H21BClNO2/c1-14(2)15(3,4)20-16(19-14)12-6-5-10(7-13(12)17)11-8-18-9-11/h5-7,11,18H,8-9H2,1-4H3
InChIKey
IZBOGLLZNGDWRS-UHFFFAOYSA-N
Compound name
3-[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.13538 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14266 157.5
[M+Na]+ 316.12460 165.7
[M-H]- 292.12810 166.1
[M+NH4]+ 311.16920 169.3
[M+K]+ 332.09854 165.4
[M+H-H2O]+ 276.13264 148.5
[M+HCOO]- 338.13358 169.1
[M+CH3COO]- 352.14923 201.0
[M+Na-2H]- 314.11005 160.5
[M]+ 293.13483 168.0
[M]- 293.13593 168.0
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.