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: 616
Patents: 323.8872 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	324.89448	132.6
[M+Na]+	346.87642	128.0
[M+NH4]+	341.92102	132.2
[M+K]+	362.85036	130.2
[M-H]-	322.87992	121.0
[M+Na-2H]-	344.86187	116.9
[M]+	323.88665	126.7
[M]-	323.88775	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe