CID 257927

Nsc86549

Structural Information

Molecular Formula
C19H11Br2Cl
SMILES
C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)Cl
InChI
InChI=1S/C19H11Br2Cl/c20-13-6-8-17-15(10-13)16-11-14(21)7-9-18(16)19(17,22)12-4-2-1-3-5-12/h1-11H
InChIKey
HSAQYXOLMZCUQU-UHFFFAOYSA-N
Compound name
3,6-dibromo-9-chloro-9-phenylfluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.8916 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.89888 180.2
[M+Na]+ 454.88082 193.7
[M-H]- 430.88432 191.3
[M+NH4]+ 449.92542 200.7
[M+K]+ 470.85476 176.9
[M+H-H2O]+ 414.88886 189.3
[M+HCOO]- 476.88980 192.0
[M+CH3COO]- 490.90545 193.5
[M+Na-2H]- 452.86627 185.7
[M]+ 431.89105 216.6
[M]- 431.89215 216.6
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

No patent data available for this compound.