CID 129258990

2102016-85-1

Structural Information

Molecular Formula
C31H19Br
SMILES
C1=CC=C(C=C1)C2=C3C4=CC=CC=C4C5(C3=CC=C2)C6=C(C7=CC=CC=C57)C(=CC=C6)Br
InChI
InChI=1S/C31H19Br/c32-28-19-9-18-27-30(28)23-13-5-7-16-25(23)31(27)24-15-6-4-12-22(24)29-21(14-8-17-26(29)31)20-10-2-1-3-11-20/h1-19H
InChIKey
FPZOLKJFLOXAGM-UHFFFAOYSA-N
Compound name
4-bromo-4'-phenyl-9,9'-spirobi[fluorene]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

470.06702 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.07430 221.5
[M+Na]+ 493.05624 234.4
[M-H]- 469.05974 236.3
[M+NH4]+ 488.10084 242.0
[M+K]+ 509.03018 219.7
[M+H-H2O]+ 453.06428 218.6
[M+HCOO]- 515.06522 238.4
[M+CH3COO]- 529.08087 232.7
[M+Na-2H]- 491.04169 223.0
[M]+ 470.06647 239.7
[M]- 470.06757 239.7
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