CID 201689

Dibenzo(c,h)xanthylium, 5,6,8,9-tetrahydro-, perchlorate

Structural Information

Molecular Formula
C21H17O
SMILES
C1CC2=CC3=C(C4=CC=CC=C4CC3)[O+]=C2C5=CC=CC=C51
InChI
InChI=1S/C21H17O/c1-3-7-18-14(5-1)9-11-16-13-17-12-10-15-6-2-4-8-19(15)21(17)22-20(16)18/h1-8,13H,9-12H2/q+1
InChIKey
CPDSCGHQPPFERU-UHFFFAOYSA-N
Compound name
2-oxoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,13,17,19,21-nonaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.12793 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.13521 164.7
[M+Na]+ 308.11715 172.2
[M-H]- 284.12065 172.0
[M+NH4]+ 303.16175 182.2
[M+K]+ 324.09109 161.4
[M+H-H2O]+ 268.12519 157.9
[M+HCOO]- 330.12613 179.8
[M+CH3COO]- 344.14178 175.5
[M+Na-2H]- 306.10260 176.2
[M]+ 285.12738 162.1
[M]- 285.12848 162.1
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.