CID 12759981

1,1-diiodocyclobutane

Structural Information

Molecular Formula
C4H6I2
SMILES
C1CC(C1)(I)I
InChI
InChI=1S/C4H6I2/c5-4(6)2-1-3-4/h1-3H2
InChIKey
IZGYQXVVFFZVEF-UHFFFAOYSA-N
Compound name
1,1-diiodocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.8559 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.86318 125.4
[M+Na]+ 330.84512 118.6
[M-H]- 306.84862 117.9
[M+NH4]+ 325.88972 133.9
[M+K]+ 346.81906 131.5
[M+H-H2O]+ 290.85316 112.7
[M+HCOO]- 352.85410 136.8
[M+CH3COO]- 366.86975 193.8
[M+Na-2H]- 328.83057 116.0
[M]+ 307.85535 126.5
[M]- 307.85645 126.5
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

No patent data available for this compound.