CID 3771456

2,6-bis(p-tolyl)-4-phenylpyrylium tetrafluoroborate

Structural Information

Molecular Formula
C25H21O
SMILES
CC1=CC=C(C=C1)C2=CC(=CC(=[O+]2)C3=CC=C(C=C3)C)C4=CC=CC=C4
InChI
InChI=1S/C25H21O/c1-18-8-12-21(13-9-18)24-16-23(20-6-4-3-5-7-20)17-25(26-24)22-14-10-19(2)11-15-22/h3-17H,1-2H3/q+1
InChIKey
WCZFBVXUAPCUET-UHFFFAOYSA-N
Compound name
2,6-bis(4-methylphenyl)-4-phenylpyrylium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

337.15924 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.16652 189.6
[M+Na]+ 360.14846 197.3
[M-H]- 336.15196 203.1
[M+NH4]+ 355.19306 200.8
[M+K]+ 376.12240 186.1
[M+H-H2O]+ 320.15650 181.3
[M+HCOO]- 382.15744 211.1
[M+CH3COO]- 396.17309 207.3
[M+Na-2H]- 358.13391 195.3
[M]+ 337.15869 189.1
[M]- 337.15979 189.1
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

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