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
2
Annotation Hits

0
References

416
Patents

184.07112 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07840 133.1
[M+Na]+ 207.06034 139.7
[M-H]- 183.06384 133.7
[M+NH4]+ 202.10494 147.3
[M+K]+ 223.03428 143.2
[M+H-H2O]+ 167.06838 122.4
[M+HCOO]- 229.06932 149.9
[M+CH3COO]- 243.08497 183.0
[M+Na-2H]- 205.04579 140.6
[M]+ 184.07057 140.1
[M]- 184.07167 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