CID 4456350

2-((2,4,5,7-tetranitro-9h-fluoren-9-ylidene)methyl)pyridine

Structural Information

Molecular Formula
C19H9N5O8
SMILES
C1=CC=NC(=C1)C=C2C3=C(C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C4=C2C=C(C=C4[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C19H9N5O8/c25-21(26)11-6-14-13(5-10-3-1-2-4-20-10)15-7-12(22(27)28)9-17(24(31)32)19(15)18(14)16(8-11)23(29)30/h1-9H
InChIKey
HVQRTOVJOCFHPD-UHFFFAOYSA-N
Compound name
2-[(2,4,5,7-tetranitrofluoren-9-ylidene)methyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.0451 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.05238 203.7
[M+Na]+ 458.03432 203.6
[M-H]- 434.03782 209.4
[M+NH4]+ 453.07892 208.5
[M+K]+ 474.00826 185.2
[M+H-H2O]+ 418.04236 208.5
[M+HCOO]- 480.04330 222.2
[M+CH3COO]- 494.05895 210.0
[M+Na-2H]- 456.01977 214.0
[M]+ 435.04455 196.7
[M]- 435.04565 196.7
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

No patent data available for this compound.