CID 2724326

3-(5-fluoro-2,4-dinitroanilino)-proxyl

Structural Information

Molecular Formula
C14H19FN4O5
SMILES
CC1(CC(C(N1O)(C)C)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])F)C
InChI
InChI=1S/C14H19FN4O5/c1-13(2)7-12(14(3,4)19(13)24)16-9-5-8(15)10(17(20)21)6-11(9)18(22)23/h5-6,12,16,24H,7H2,1-4H3
InChIKey
DGKVCGWEHRKMEB-UHFFFAOYSA-N
Compound name
N-(5-fluoro-2,4-dinitrophenyl)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

342.13394 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14122 169.6
[M+Na]+ 365.12316 176.0
[M-H]- 341.12666 173.2
[M+NH4]+ 360.16776 184.7
[M+K]+ 381.09710 165.3
[M+H-H2O]+ 325.13120 172.4
[M+HCOO]- 387.13214 190.3
[M+CH3COO]- 401.14779 201.5
[M+Na-2H]- 363.10861 176.5
[M]+ 342.13339 165.1
[M]- 342.13449 165.1
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