CID 71306532

N-(4-chloro-phenyl)-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide

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 182.0
[M+Na]+ 380.11952 191.1
[M-H]- 356.12302 193.7
[M+NH4]+ 375.16412 198.8
[M+K]+ 396.09346 188.3
[M+H-H2O]+ 340.12756 176.0
[M+HCOO]- 402.12850 198.2
[M+CH3COO]- 416.14415 214.1
[M+Na-2H]- 378.10497 184.9
[M]+ 357.12975 186.7
[M]- 357.13085 186.7
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.