CID 37766

6-hydroxychrysene

Structural Information

Molecular Formula
C18H12O
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)O
InChI
InChI=1S/C18H12O/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11,19H
InChIKey
VXFDOYXVHRYCGS-UHFFFAOYSA-N
Compound name
chrysen-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

16
Patents

244.08882 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09610 152.6
[M+Na]+ 267.07804 171.9
[M+NH4]+ 262.12264 164.6
[M+K]+ 283.05198 161.1
[M-H]- 243.08154 158.9
[M+Na-2H]- 265.06349 162.8
[M]+ 244.08827 157.7
[M]- 244.08937 157.7
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