CID 4073410

4-methyl-2-phenyl-1-benzopyrylium tetrafluoroborate

Structural Information

Molecular Formula
C16H13O
SMILES
CC1=CC(=[O+]C2=CC=CC=C12)C3=CC=CC=C3
InChI
InChI=1S/C16H13O/c1-12-11-16(13-7-3-2-4-8-13)17-15-10-6-5-9-14(12)15/h2-11H,1H3/q+1
InChIKey
WUFYOMNENLDUTF-UHFFFAOYSA-N
Compound name
4-methyl-2-phenylchromenylium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

221.09663 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.103906 150.4
[M+Na]+ 244.085848 159.4
[M-H]- 220.089354 159.4
[M+NH4]+ 239.130453 168.2
[M+K]+ 260.059788 150.6
[M+H-H2O]+ 204.093890 145.6
[M+HCOO]- 266.094831 172.9
[M+CH3COO]- 280.110481 183.7
[M+Na-2H]- 242.071296 161.7
[M]+ 221.09608142 150.6
[M]- 221.09717858 150.6
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