CID 130451396

1-iodo-3-(trifluoromethyl)cyclobutane

Structural Information

Molecular Formula
C5H6F3I
SMILES
C1C(CC1I)C(F)(F)F
InChI
InChI=1S/C5H6F3I/c6-5(7,8)3-1-4(9)2-3/h3-4H,1-2H2
InChIKey
QJIWUYXPNJYABU-UHFFFAOYSA-N
Compound name
1-iodo-3-(trifluoromethyl)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

249.94662 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.95390 129.5
[M+Na]+ 272.93584 130.3
[M-H]- 248.93934 123.3
[M+NH4]+ 267.98044 140.4
[M+K]+ 288.90978 137.3
[M+H-H2O]+ 232.94388 115.4
[M+HCOO]- 294.94482 142.6
[M+CH3COO]- 308.96047 186.4
[M+Na-2H]- 270.92129 123.2
[M]+ 249.94607 130.1
[M]- 249.94717 130.1
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

patents stripe