CID 13023871

(1r,2r)-1,2-bis(iodomethyl)cyclohexane

Structural Information

Molecular Formula
C8H14I2
SMILES
C1CC[C@H]([C@@H](C1)CI)CI
InChI
InChI=1S/C8H14I2/c9-5-7-3-1-2-4-8(7)6-10/h7-8H,1-6H2/t7-,8-/m0/s1
InChIKey
UYOGTWIDMSRPJU-YUMQZZPRSA-N
Compound name
(1R,2R)-1,2-bis(iodomethyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

363.9185 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.92578 142.4
[M+Na]+ 386.90772 133.5
[M-H]- 362.91122 133.1
[M+NH4]+ 381.95232 152.3
[M+K]+ 402.88166 143.7
[M+H-H2O]+ 346.91576 131.2
[M+HCOO]- 408.91670 151.5
[M+CH3COO]- 422.93235 200.3
[M+Na-2H]- 384.89317 129.1
[M]+ 363.91795 134.4
[M]- 363.91905 134.4
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