CID 168435005

4pacz

Structural Information

Molecular Formula

C₁₆H₁₈NO₃P

SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N2CCCCP(=O)(O)O

InChI

InChI=1S/C16H18NO3P/c18-21(19,20)12-6-5-11-17-15-9-3-1-7-13(15)14-8-2-4-10-16(14)17/h1-4,7-10H,5-6,11-12H2,(H2,18,19,20)

InChIKey

VVVLSSBYAHLICL-UHFFFAOYSA-N

Compound name

4-carbazol-9-ylbutylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 303.10242 Da
Monoisotopic Mass: 2.2
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]+	304.10970	172.7
[M+Na]+	326.09164	181.0
[M-H]-	302.09514	173.3
[M+NH4]+	321.13624	189.5
[M+K]+	342.06558	175.9
[M+H-H2O]+	286.09968	163.8
[M+HCOO]-	348.10062	196.3
[M+CH3COO]-	362.11627	199.8
[M+Na-2H]-	324.07709	176.0
[M]+	303.10187	176.1
[M]-	303.10297	176.1

Literature stripe

literature stripe

Patent stripe

patents stripe