CID 146049250

1-(iodomethyl)-3-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexane

Structural Information

Molecular Formula
C7H8F3IO
SMILES
C1C2CC1(OC2C(F)(F)F)CI
InChI
InChI=1S/C7H8F3IO/c8-7(9,10)5-4-1-6(2-4,3-11)12-5/h4-5H,1-3H2
InChIKey
XUGLICKTHUVCFQ-UHFFFAOYSA-N
Compound name
1-(iodomethyl)-3-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.9572 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.96448 137.4
[M+Na]+ 314.94642 139.0
[M-H]- 290.94992 130.0
[M+NH4]+ 309.99102 154.3
[M+K]+ 330.92036 145.7
[M+H-H2O]+ 274.95446 127.3
[M+HCOO]- 336.95540 147.1
[M+CH3COO]- 350.97105 193.6
[M+Na-2H]- 312.93187 134.8
[M]+ 291.95665 144.6
[M]- 291.95775 144.6
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

No patent data available for this compound.