CID 15457423

Oxetane, 3-methyl-3-[(2,2,2-trifluoroethoxy)methyl]-

Structural Information

Molecular Formula
C7H11F3O2
SMILES
CC1(COC1)COCC(F)(F)F
InChI
InChI=1S/C7H11F3O2/c1-6(2-11-3-6)4-12-5-7(8,9)10/h2-5H2,1H3
InChIKey
KNLXBOKBOCQJTG-UHFFFAOYSA-N
Compound name
3-methyl-3-(2,2,2-trifluoroethoxymethyl)oxetane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

430
Patents

184.07112 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.078396 133.1
[M+Na]+ 207.060338 139.7
[M-H]- 183.063844 133.7
[M+NH4]+ 202.104943 147.3
[M+K]+ 223.034278 143.2
[M+H-H2O]+ 167.068380 122.4
[M+HCOO]- 229.069321 149.9
[M+CH3COO]- 243.084971 183.0
[M+Na-2H]- 205.045786 140.6
[M]+ 184.07057142 140.1
[M]- 184.07166858 140.1
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