CID 97014

Naphtho[2,1,8,7-klmn]xanthene

Structural Information

Molecular Formula
C18H10O
SMILES
C1=CC2=C3C(=C1)OC4=CC=CC5=C4C3=C(C=C2)C=C5
InChI
InChI=1S/C18H10O/c1-3-11-7-9-13-10-8-12-4-2-6-15-17(12)18(13)16(11)14(5-1)19-15/h1-10H
InChIKey
UZHFDCLFBVPDGM-UHFFFAOYSA-N
Compound name
19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8(17),9,11(16),12,14-nonaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

242.07317 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08045 149.6
[M+Na]+ 265.06239 159.7
[M-H]- 241.06589 155.9
[M+NH4]+ 260.10699 170.3
[M+K]+ 281.03633 155.1
[M+H-H2O]+ 225.07043 141.0
[M+HCOO]- 287.07137 167.8
[M+CH3COO]- 301.08702 162.7
[M+Na-2H]- 263.04784 163.3
[M]+ 242.07262 154.1
[M]- 242.07372 154.1
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