CID 53692422

Morpholine, 2,2,3,3,5,5,6,6-octafluoro-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-

Structural Information

Molecular Formula
C7F15NO
SMILES
C1(C(OC(C(N1C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7F15NO/c8-1(2(9,10)11,3(12,13)14)23-4(15,16)6(19,20)24-7(21,22)5(23,17)18
InChIKey
BOEAEHGVPJBTSP-UHFFFAOYSA-N
Compound name
2,2,3,3,5,5,6,6-octafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

320
Patents

398.97403 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.98131 165.1
[M+Na]+ 421.96325 179.6
[M-H]- 397.96675 152.9
[M+NH4]+ 417.00785 180.8
[M+K]+ 437.93719 177.3
[M+H-H2O]+ 381.97129 152.8
[M+HCOO]- 443.97223 164.1
[M+CH3COO]- 457.98788 218.5
[M+Na-2H]- 419.94870 169.0
[M]+ 398.97348 144.6
[M]- 398.97458 144.6
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