CID 85879365

Ns00114951

Structural Information

Molecular Formula
C16H16F6N2
SMILES
C1=C[N+](=CC=C1C2=CC=[N+](C=C2)CCC(F)(F)F)CCC(F)(F)F
InChI
InChI=1S/C16H16F6N2/c17-15(18,19)5-11-23-7-1-13(2-8-23)14-3-9-24(10-4-14)12-6-16(20,21)22/h1-4,7-10H,5-6,11-12H2/q+2
InChIKey
AAIGLDHMTQNWHC-UHFFFAOYSA-N
Compound name
1-(3,3,3-trifluoropropyl)-4-[1-(3,3,3-trifluoropropyl)pyridin-1-ium-4-yl]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.12177 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.12905 178.4
[M+Na]+ 373.11099 186.9
[M-H]- 349.11449 175.3
[M+NH4]+ 368.15559 188.1
[M+K]+ 389.08493 169.7
[M+H-H2O]+ 333.11903 169.8
[M+HCOO]- 395.11997 188.8
[M+CH3COO]- 409.13562 199.5
[M+Na-2H]- 371.09644 186.6
[M]+ 350.12122 169.3
[M]- 350.12232 169.3
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.