CID 11045029

3-iodo-2-(iodomethyl)prop-1-ene

Structural Information

Molecular Formula
C4H6I2
SMILES
C=C(CI)CI
InChI
InChI=1S/C4H6I2/c1-4(2-5)3-6/h1-3H2
InChIKey
KKENSJFXVZBMFL-UHFFFAOYSA-N
Compound name
3-iodo-2-(iodomethyl)prop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

307.8559 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.86318 127.2
[M+Na]+ 330.84512 120.5
[M-H]- 306.84862 116.8
[M+NH4]+ 325.88972 139.2
[M+K]+ 346.81906 131.6
[M+H-H2O]+ 290.85316 117.5
[M+HCOO]- 352.85410 139.1
[M+CH3COO]- 366.86975 192.9
[M+Na-2H]- 328.83057 115.7
[M]+ 307.85535 122.4
[M]- 307.85645 122.4
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