CID 14644901

1,1,2,2-tetrafluoro-2-(trifluoromethoxy)-n,n-bis(trifluoromethyl)ethanamine

Structural Information

Molecular Formula
C5F13NO
SMILES
C(C(OC(F)(F)F)(F)F)(N(C(F)(F)F)C(F)(F)F)(F)F
InChI
InChI=1S/C5F13NO/c6-1(7,2(8,9)20-5(16,17)18)19(3(10,11)12)4(13,14)15
InChIKey
CRPLTJCWHFIZTI-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrafluoro-2-(trifluoromethoxy)-N,N-bis(trifluoromethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

336.97723 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.98451 156.9
[M+Na]+ 359.96645 166.5
[M-H]- 335.96995 144.2
[M+NH4]+ 355.01105 169.8
[M+K]+ 375.94039 165.2
[M+H-H2O]+ 319.97449 143.0
[M+HCOO]- 381.97543 161.1
[M+CH3COO]- 395.99108 213.0
[M+Na-2H]- 357.95190 160.4
[M]+ 336.97668 138.2
[M]- 336.97778 138.2
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