CID 6453236

Morpholine, 2,2,3,3,5,5,6,6-octafluoro-4-(pentafluoroethyl)-

Structural Information

Molecular Formula
C6F13NO
SMILES
C1(C(OC(C(N1C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6F13NO/c7-1(8,9)2(10,11)20-3(12,13)5(16,17)21-6(18,19)4(20,14)15
InChIKey
BMPMIPFMFUBMNZ-UHFFFAOYSA-N
Compound name
2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)morpholine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

281
Patents

348.97723 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.98451 152.7
[M+Na]+ 371.96645 167.1
[M-H]- 347.96995 142.2
[M+NH4]+ 367.01105 170.6
[M+K]+ 387.94039 165.2
[M+H-H2O]+ 331.97449 141.2
[M+HCOO]- 393.97543 155.3
[M+CH3COO]- 407.99108 210.1
[M+Na-2H]- 369.95190 157.2
[M]+ 348.97668 135.2
[M]- 348.97778 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe