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

31
Patents

230.07317 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.08045 149.1
[M+Na]+ 253.06239 160.1
[M-H]- 229.06589 155.7
[M+NH4]+ 248.10699 172.6
[M+K]+ 269.03633 154.1
[M+H-H2O]+ 213.07043 142.8
[M+HCOO]- 275.07137 171.6
[M+CH3COO]- 289.08702 163.2
[M+Na-2H]- 251.04784 157.5
[M]+ 230.07262 152.4
[M]- 230.07372 152.4
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

patents stripe