CID 70328086

1,1-difluoro-3-(iodomethyl)cyclobutane

Structural Information

Molecular Formula
C5H7F2I
SMILES
C1C(CC1(F)F)CI
InChI
InChI=1S/C5H7F2I/c6-5(7)1-4(2-5)3-8/h4H,1-3H2
InChIKey
ZQIGYMBIEBXPTQ-UHFFFAOYSA-N
Compound name
1,1-difluoro-3-(iodomethyl)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

231.95605 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.96333 126.2
[M+Na]+ 254.94527 127.3
[M-H]- 230.94877 121.4
[M+NH4]+ 249.98987 139.6
[M+K]+ 270.91921 134.5
[M+H-H2O]+ 214.95331 113.6
[M+HCOO]- 276.95425 141.8
[M+CH3COO]- 290.96990 183.7
[M+Na-2H]- 252.93072 121.0
[M]+ 231.95550 128.7
[M]- 231.95660 128.7
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