CID 5743424

5,6-dihydrofluoranthen-6a(4h)-ol

Structural Information

Molecular Formula
C16H14O
SMILES
C1CC2=C3C(=CC=C2)C4=CC=CC=C4C3(C1)O
InChI
InChI=1S/C16H14O/c17-16-10-4-6-11-5-3-8-13(15(11)16)12-7-1-2-9-14(12)16/h1-3,5,7-9,17H,4,6,10H2
InChIKey
OVSQBVKUKPDWKD-UHFFFAOYSA-N
Compound name
5,6-dihydro-4H-fluoranthen-6a-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

222.10446 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11174 149.1
[M+Na]+ 245.09368 158.1
[M-H]- 221.09718 153.7
[M+NH4]+ 240.13828 173.9
[M+K]+ 261.06762 152.1
[M+H-H2O]+ 205.10172 142.9
[M+HCOO]- 267.10266 167.4
[M+CH3COO]- 281.11831 161.9
[M+Na-2H]- 243.07913 157.2
[M]+ 222.10391 148.0
[M]- 222.10501 148.0
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