CID 130053694

1374606-57-1

Structural Information

Molecular Formula
C15H21BClNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2NC(=O)C)OC)Cl
InChI
InChI=1S/C15H21BClNO4/c1-9(19)18-12-8-13(20-6)11(17)7-10(12)16-21-14(2,3)15(4,5)22-16/h7-8H,1-6H3,(H,18,19)
InChIKey
LLXSFKAZENMLJD-UHFFFAOYSA-N
Compound name
N-[4-chloro-5-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1252 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13248 168.8
[M+Na]+ 348.11442 178.8
[M-H]- 324.11792 177.8
[M+NH4]+ 343.15902 187.6
[M+K]+ 364.08836 177.8
[M+H-H2O]+ 308.12246 165.3
[M+HCOO]- 370.12340 185.1
[M+CH3COO]- 384.13905 209.8
[M+Na-2H]- 346.09987 172.0
[M]+ 325.12465 176.3
[M]- 325.12575 176.3
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.