CID 181113

Fluoranthene-3-carbaldehyde

Structural Information

Molecular Formula

C₁₇H₁₀O

SMILES

C1=CC=C2C(=C1)C3=C4C2=CC=CC4=C(C=C3)C=O

InChI

InChI=1S/C17H10O/c18-10-11-8-9-16-14-5-2-1-4-13(14)15-7-3-6-12(11)17(15)16/h1-10H

InChIKey

PVZBGCMQMBTMSR-UHFFFAOYSA-N

Compound name

fluoranthene-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 230.07317 Da
Monoisotopic Mass: 4.3
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]+	231.080446	149.1
[M+Na]+	253.062388	160.1
[M-H]-	229.065894	155.7
[M+NH4]+	248.106993	172.6
[M+K]+	269.036328	154.1
[M+H-H2O]+	213.070430	142.8
[M+HCOO]-	275.071371	171.6
[M+CH3COO]-	289.087021	163.2
[M+Na-2H]-	251.047836	157.5
[M]+	230.07262142	152.4
[M]-	230.07371858	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe