CID 90153673

1609484-45-8

Structural Information

Molecular Formula
C25H15BrO
SMILES
C1=CC=C2C(=C1)C3=C(C24C5=CC=CC=C5OC6=CC=CC=C46)C=CC=C3Br
InChI
InChI=1S/C25H15BrO/c26-21-13-7-12-20-24(21)16-8-1-2-9-17(16)25(20)18-10-3-5-14-22(18)27-23-15-6-4-11-19(23)25/h1-15H
InChIKey
WQAGYCVGNQJYKT-UHFFFAOYSA-N
Compound name
4-bromospiro[fluorene-9,9'-xanthene]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

410.03064 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.03792 198.1
[M+Na]+ 433.01986 211.0
[M-H]- 409.02336 210.3
[M+NH4]+ 428.06446 218.5
[M+K]+ 448.99380 198.7
[M+H-H2O]+ 393.02790 195.6
[M+HCOO]- 455.02884 213.3
[M+CH3COO]- 469.04449 210.4
[M+Na-2H]- 431.00531 204.9
[M]+ 410.03009 216.8
[M]- 410.03119 216.8
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