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
2
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]+ 218.096416 145.3
[M+Na]+ 240.078358 155.8
[M-H]- 216.081864 151.4
[M+NH4]+ 235.122963 168.9
[M+K]+ 256.052298 149.6
[M+H-H2O]+ 200.086400 139.2
[M+HCOO]- 262.087341 168.3
[M+CH3COO]- 276.102991 159.2
[M+Na-2H]- 238.063806 153.9
[M]+ 217.08859142 146.1
[M]- 217.08968858 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

literature stripe

Patent stripe

patents stripe