CID 12458131

1,1-bis(iodomethyl)cyclobutane

Structural Information

Molecular Formula
C6H10I2
SMILES
C1CC(C1)(CI)CI
InChI
InChI=1S/C6H10I2/c7-4-6(5-8)2-1-3-6/h1-5H2
InChIKey
LDIPTYNQUAFCAP-UHFFFAOYSA-N
Compound name
1,1-bis(iodomethyl)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

335.8872 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.89448 134.7
[M+Na]+ 358.87642 127.2
[M-H]- 334.87992 126.8
[M+NH4]+ 353.92102 142.3
[M+K]+ 374.85036 139.7
[M+H-H2O]+ 318.88446 121.5
[M+HCOO]- 380.88540 145.4
[M+CH3COO]- 394.90105 198.4
[M+Na-2H]- 356.86187 124.2
[M]+ 335.88665 136.2
[M]- 335.88775 136.2
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