CID 15580394

3,3-diiodopentane

Structural Information

Molecular Formula
C5H10I2
SMILES
CCC(CC)(I)I
InChI
InChI=1S/C5H10I2/c1-3-5(6,7)4-2/h3-4H2,1-2H3
InChIKey
MORAJFQPKBZENL-UHFFFAOYSA-N
Compound name
3,3-diiodopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

620
Patents

323.8872 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.89448 135.2
[M+Na]+ 346.87642 128.5
[M-H]- 322.87992 124.7
[M+NH4]+ 341.92102 146.8
[M+K]+ 362.85036 139.7
[M+H-H2O]+ 306.88446 125.6
[M+HCOO]- 368.88540 146.1
[M+CH3COO]- 382.90105 195.6
[M+Na-2H]- 344.86187 124.3
[M]+ 323.88665 131.3
[M]- 323.88775 131.3
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