CID 100287

3,3-bis(iodomethyl)oxetane

Structural Information

Molecular Formula
C5H8I2O
SMILES
C1C(CO1)(CI)CI
InChI
InChI=1S/C5H8I2O/c6-1-5(2-7)3-8-4-5/h1-4H2
InChIKey
JRMFTYIUHNPQQY-UHFFFAOYSA-N
Compound name
3,3-bis(iodomethyl)oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

266
Patents

337.86646 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.873736 135.2
[M+Na]+ 360.855678 127.9
[M-H]- 336.859184 127.9
[M+NH4]+ 355.900283 141.7
[M+K]+ 376.829618 141.7
[M+H-H2O]+ 320.863720 122.0
[M+HCOO]- 382.864661 145.6
[M+CH3COO]- 396.880311 197.4
[M+Na-2H]- 358.841126 125.8
[M]+ 337.86591142 137.9
[M]- 337.86700858 137.9
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