CID 2737142

53731-45-6

Structural Information

Molecular Formula
C21H19O
SMILES
C1CCC2=C(C1)C(=CC(=[O+]2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H19O/c1-3-9-16(10-4-1)19-15-21(17-11-5-2-6-12-17)22-20-14-8-7-13-18(19)20/h1-6,9-12,15H,7-8,13-14H2/q+1
InChIKey
KFSIPRKEVFFZLO-UHFFFAOYSA-N
Compound name
2,4-diphenyl-5,6,7,8-tetrahydrochromen-1-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

287.1436 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15088 171.6
[M+Na]+ 310.13282 177.3
[M-H]- 286.13632 182.1
[M+NH4]+ 305.17742 185.6
[M+K]+ 326.10676 167.1
[M+H-H2O]+ 270.14086 164.5
[M+HCOO]- 332.14180 190.4
[M+CH3COO]- 346.15745 182.3
[M+Na-2H]- 308.11827 179.9
[M]+ 287.14305 167.6
[M]- 287.14415 167.6
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