CID 96615

4093-08-7

Structural Information

Molecular Formula
C17H17F2N3O2
SMILES
C1=CC(=CC=C1C=NC2=CC=C(C=C2)[N+](=O)[O-])N(CCF)CCF
InChI
InChI=1S/C17H17F2N3O2/c18-9-11-21(12-10-19)16-5-1-14(2-6-16)13-20-15-3-7-17(8-4-15)22(23)24/h1-8,13H,9-12H2
InChIKey
KMCHEGMJTOODRD-UHFFFAOYSA-N
Compound name
N,N-bis(2-fluoroethyl)-4-[(4-nitrophenyl)iminomethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.12888 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.13616 175.5
[M+Na]+ 356.11810 180.2
[M-H]- 332.12160 181.5
[M+NH4]+ 351.16270 188.6
[M+K]+ 372.09204 172.6
[M+H-H2O]+ 316.12614 168.6
[M+HCOO]- 378.12708 201.8
[M+CH3COO]- 392.14273 214.4
[M+Na-2H]- 354.10355 180.6
[M]+ 333.12833 173.8
[M]- 333.12943 173.8
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.