CID 44720398

1,1-bis(iodomethyl)cyclopropane

Structural Information

Molecular Formula
C5H8I2
SMILES
C1CC1(CI)CI
InChI
InChI=1S/C5H8I2/c6-3-5(4-7)1-2-5/h1-4H2
InChIKey
NAEWACGRLOFYKO-UHFFFAOYSA-N
Compound name
1,1-bis(iodomethyl)cyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

321.87155 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.87883 130.9
[M+Na]+ 344.86077 126.3
[M-H]- 320.86427 124.3
[M+NH4]+ 339.90537 140.3
[M+K]+ 360.83471 136.7
[M+H-H2O]+ 304.86881 120.9
[M+HCOO]- 366.86975 143.3
[M+CH3COO]- 380.88540 196.5
[M+Na-2H]- 342.84622 121.7
[M]+ 321.87100 128.6
[M]- 321.87210 128.6
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