CID 102393

3321-86-6

Structural Information

Molecular Formula
C30H16O2
SMILES
C1=CC=C2C(=C1)C(=C=C=C3C4=CC=CC=C4C(=O)C5=CC=CC=C53)C6=CC=CC=C6C2=O
InChI
InChI=1S/C30H16O2/c31-29-25-13-5-1-9-19(25)23(20-10-2-6-14-26(20)29)17-18-24-21-11-3-7-15-27(21)30(32)28-16-8-4-12-22(24)28/h1-16H
InChIKey
DATXULQQDBTIRC-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.11502 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.12230 198.7
[M+Na]+ 431.10424 207.3
[M-H]- 407.10774 207.8
[M+NH4]+ 426.14884 212.1
[M+K]+ 447.07818 196.7
[M+H-H2O]+ 391.11228 186.5
[M+HCOO]- 453.11322 213.6
[M+CH3COO]- 467.12887 207.3
[M+Na-2H]- 429.08969 202.8
[M]+ 408.11447 195.2
[M]- 408.11557 195.2
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