CID 72207443

3-fluoro-3-(iodomethyl)oxetane

Structural Information

Molecular Formula
C4H6FIO
SMILES
C1C(CO1)(CI)F
InChI
InChI=1S/C4H6FIO/c5-4(1-6)2-7-3-4/h1-3H2
InChIKey
YLUZKLPBHBABDH-UHFFFAOYSA-N
Compound name
3-fluoro-3-(iodomethyl)oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

215.94473 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.95201 123.3
[M+Na]+ 238.93395 123.7
[M-H]- 214.93745 120.0
[M+NH4]+ 233.97855 135.8
[M+K]+ 254.90789 132.9
[M+H-H2O]+ 198.94199 111.2
[M+HCOO]- 260.94293 139.4
[M+CH3COO]- 274.95858 179.0
[M+Na-2H]- 236.91940 120.6
[M]+ 215.94418 128.0
[M]- 215.94528 128.0
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