CID 112571219

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

Structural Information

Molecular Formula
C8H14Br2
SMILES
C1CCC(C1)C(CBr)CBr
InChI
InChI=1S/C8H14Br2/c9-5-8(6-10)7-3-1-2-4-7/h7-8H,1-6H2
InChIKey
NEUCWPJOLVDKPU-UHFFFAOYSA-N
Compound name
1,3-dibromopropan-2-ylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.94623 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.95351 149.2
[M+Na]+ 290.93545 158.3
[M-H]- 266.93895 155.3
[M+NH4]+ 285.98005 170.5
[M+K]+ 306.90939 143.5
[M+H-H2O]+ 250.94349 157.4
[M+HCOO]- 312.94443 163.6
[M+CH3COO]- 326.96008 199.1
[M+Na-2H]- 288.92090 153.2
[M]+ 267.94568 180.3
[M]- 267.94678 180.3
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

No patent data available for this compound.