CID 3050932

Brn 2589712

Structural Information

Molecular Formula

C₁₆H₁₄ClNO

SMILES

C1CC2=CC=CC=C2C(C3=C1C=CC(=C3)Cl)C(=O)N

InChI

InChI=1S/C16H14ClNO/c17-12-8-7-11-6-5-10-3-1-2-4-13(10)15(16(18)19)14(11)9-12/h1-4,7-9,15H,5-6H2,(H2,18,19)

InChIKey

NGUFJGCGQJNRDT-UHFFFAOYSA-N

Compound name

5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.0764 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	272.083676	157.5
[M+Na]+	294.065618	166.1
[M-H]-	270.069124	163.6
[M+NH4]+	289.110223	175.8
[M+K]+	310.039558	164.5
[M+H-H2O]+	254.073660	153.2
[M+HCOO]-	316.074601	173.3
[M+CH3COO]-	330.090251	169.4
[M+Na-2H]-	292.051066	162.9
[M]+	271.07585142	155.1
[M]-	271.07694858	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.