CID 137943763

1-(iodomethyl)-4-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexane

Structural Information

Molecular Formula
C7H8F3IO
SMILES
C1C2(CC1(OC2)CI)C(F)(F)F
InChI
InChI=1S/C7H8F3IO/c8-7(9,10)5-1-6(2-5,3-11)12-4-5/h1-4H2
InChIKey
GIZMCRPQQNIPFS-UHFFFAOYSA-N
Compound name
1-(iodomethyl)-4-(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

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.96448 138.9
[M+Na]+ 314.94642 140.8
[M-H]- 290.94992 131.6
[M+NH4]+ 309.99102 157.4
[M+K]+ 330.92036 147.1
[M+H-H2O]+ 274.95446 129.3
[M+HCOO]- 336.95540 148.6
[M+CH3COO]- 350.97105 192.4
[M+Na-2H]- 312.93187 137.8
[M]+ 291.95665 146.1
[M]- 291.95775 146.1
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.