CID 132353716

(1,3-dibromopropan-2-yl)cyclohexane

Structural Information

Molecular Formula
C9H16Br2
SMILES
C1CCC(CC1)C(CBr)CBr
InChI
InChI=1S/C9H16Br2/c10-6-9(7-11)8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKey
IIZZUUMLHSZNHS-UHFFFAOYSA-N
Compound name
1,3-dibromopropan-2-ylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.96188 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.96916 147.8
[M+Na]+ 304.95110 155.3
[M-H]- 280.95460 153.4
[M+NH4]+ 299.99570 167.1
[M+K]+ 320.92504 140.4
[M+H-H2O]+ 264.95914 156.1
[M+HCOO]- 326.96008 160.2
[M+CH3COO]- 340.97573 201.6
[M+Na-2H]- 302.93655 152.6
[M]+ 281.96133 177.8
[M]- 281.96243 177.8
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

No patent data available for this compound.