CID 3122145

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

Structural Information

Molecular Formula
C18H13N5O8
SMILES
CN1CCCC1=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/C18H13N5O8/c1-19-4-2-3-13(19)16-11-5-9(20(24)25)7-14(22(28)29)17(11)18-12(16)6-10(21(26)27)8-15(18)23(30)31/h5-8H,2-4H2,1H3
InChIKey
MTNBKDKDGTZQIS-UHFFFAOYSA-N
Compound name
1-methyl-2-(2,4,5,7-tetranitrofluoren-9-ylidene)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.07642 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.08370 177.1
[M+Na]+ 450.06564 182.6
[M+NH4]+ 445.11024 186.0
[M+K]+ 466.03958 192.2
[M-H]- 426.06914 176.2
[M+Na-2H]- 448.05109 176.7
[M]+ 427.07587 180.0
[M]- 427.07697 180.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.