CID 52308

1,3-dibromo-7-nitro-2-fluorenol

Structural Information

Molecular Formula
C13H7Br2NO3
SMILES
C1C2=C(C=CC(=C2)[N+](=O)[O-])C3=CC(=C(C(=C31)Br)O)Br
InChI
InChI=1S/C13H7Br2NO3/c14-11-5-9-8-2-1-7(16(18)19)3-6(8)4-10(9)12(15)13(11)17/h1-3,5,17H,4H2
InChIKey
QPLUCUVSAFPXOA-UHFFFAOYSA-N
Compound name
1,3-dibromo-7-nitro-9H-fluoren-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.87927 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.88655 171.1
[M+Na]+ 405.86849 182.0
[M-H]- 381.87199 178.7
[M+NH4]+ 400.91309 189.4
[M+K]+ 421.84243 163.6
[M+H-H2O]+ 365.87653 182.0
[M+HCOO]- 427.87747 186.1
[M+CH3COO]- 441.89312 210.2
[M+Na-2H]- 403.85394 177.0
[M]+ 382.87872 205.6
[M]- 382.87982 205.6
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.