CID 87652108

Oxetane, 3-methyl-3-(((3,3,4,4,5,5,6,6,6-nonafluorohexyl)oxy)methyl)-

Structural Information

Molecular Formula
C11H13F9O2
SMILES
CC1(COC1)COCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H13F9O2/c1-7(5-22-6-7)4-21-3-2-8(12,13)9(14,15)10(16,17)11(18,19)20/h2-6H2,1H3
InChIKey
DTJCOUKHJQCCKV-UHFFFAOYSA-N
Compound name
3-methyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexoxymethyl)oxetane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

7
Patents

348.07718 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.08446 173.5
[M+Na]+ 371.06640 180.0
[M-H]- 347.06990 166.7
[M+NH4]+ 366.11100 180.8
[M+K]+ 387.04034 181.3
[M+H-H2O]+ 331.07444 158.6
[M+HCOO]- 393.07538 178.1
[M+CH3COO]- 407.09103 213.0
[M+Na-2H]- 369.05185 177.7
[M]+ 348.07663 171.5
[M]- 348.07773 171.5
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