CID 131851352

2-(1-ethoxy-1,2,2,3,3,4,4,4-octafluorobutyl)aniline

Structural Information

Molecular Formula
C12H11F8NO
SMILES
CCOC(C1=CC=CC=C1N)(C(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C12H11F8NO/c1-2-22-9(13,7-5-3-4-6-8(7)21)10(14,15)11(16,17)12(18,19)20/h3-6H,2,21H2,1H3
InChIKey
NIOKERYKVFUYRO-UHFFFAOYSA-N
Compound name
2-(1-ethoxy-1,2,2,3,3,4,4,4-octafluorobutyl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

337.0713 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.07858 167.7
[M+Na]+ 360.06052 176.0
[M-H]- 336.06402 160.9
[M+NH4]+ 355.10512 180.5
[M+K]+ 376.03446 172.0
[M+H-H2O]+ 320.06856 155.8
[M+HCOO]- 382.06950 176.7
[M+CH3COO]- 396.08515 211.7
[M+Na-2H]- 358.04597 171.3
[M]+ 337.07075 155.9
[M]- 337.07185 155.9
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.