CID 22015266

156294-55-2

Structural Information

Molecular Formula
C9H11F7O2
SMILES
CC1(COC1)COCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H11F7O2/c1-6(2-17-3-6)4-18-5-7(10,11)8(12,13)9(14,15)16/h2-5H2,1H3
InChIKey
QZYAQRJJGPOBHO-UHFFFAOYSA-N
Compound name
3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-methyloxetane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

69
Patents

284.06473 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07201 156.8
[M+Na]+ 307.05395 163.6
[M-H]- 283.05745 152.4
[M+NH4]+ 302.09855 166.8
[M+K]+ 323.02789 165.8
[M+H-H2O]+ 267.06199 143.4
[M+HCOO]- 329.06293 165.6
[M+CH3COO]- 343.07858 201.1
[M+Na-2H]- 305.03940 162.3
[M]+ 284.06418 157.8
[M]- 284.06528 157.8
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