CID 71306532

2096339-42-1

Structural Information

Molecular Formula
C19H21BClNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H21BClNO3/c1-18(2)19(3,4)25-20(24-18)14-7-5-13(6-8-14)17(23)22-16-11-9-15(21)10-12-16/h5-12H,1-4H3,(H,22,23)
InChIKey
VQRALZPLWWICTD-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1303 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.13758 180.1
[M+Na]+ 380.11952 194.2
[M+NH4]+ 375.16412 190.8
[M+K]+ 396.09346 185.4
[M-H]- 356.12302 188.6
[M+Na-2H]- 378.10497 190.0
[M]+ 357.12975 185.3
[M]- 357.13085 185.3
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.