CID 17599

3-aminofluoranthene

Structural Information

Molecular Formula
C16H11N
SMILES
C1=CC=C2C(=C1)C3=C4C2=CC=CC4=C(C=C3)N
InChI
InChI=1S/C16H11N/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H,17H2
InChIKey
VHGJAFIHUSTRGB-UHFFFAOYSA-N
Compound name
fluoranthen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

216
Patents

217.08914 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09642 145.3
[M+Na]+ 240.07836 155.8
[M-H]- 216.08186 151.4
[M+NH4]+ 235.12296 168.9
[M+K]+ 256.05230 149.6
[M+H-H2O]+ 200.08640 139.2
[M+HCOO]- 262.08734 168.3
[M+CH3COO]- 276.10299 159.2
[M+Na-2H]- 238.06381 153.9
[M]+ 217.08859 146.1
[M]- 217.08969 146.1
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.