CID 51546

Brn 1402625

Structural Information

Molecular Formula
C22H16ClNO3
SMILES
C1=CC=C(C=C1)C2=C(OC3=C2C=C(C=C3)Cl)COC(=O)NC4=CC=CC=C4
InChI
InChI=1S/C22H16ClNO3/c23-16-11-12-19-18(13-16)21(15-7-3-1-4-8-15)20(27-19)14-26-22(25)24-17-9-5-2-6-10-17/h1-13H,14H2,(H,24,25)
InChIKey
QYTTXYPUWXSVTD-UHFFFAOYSA-N
Compound name
(5-chloro-3-phenyl-1-benzofuran-2-yl)methyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.08188 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.08916 189.2
[M+Na]+ 400.07110 198.5
[M-H]- 376.07460 201.0
[M+NH4]+ 395.11570 202.9
[M+K]+ 416.04504 192.9
[M+H-H2O]+ 360.07914 180.8
[M+HCOO]- 422.08008 209.2
[M+CH3COO]- 436.09573 200.8
[M+Na-2H]- 398.05655 193.6
[M]+ 377.08133 195.7
[M]- 377.08243 195.7
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.