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]+ 268.953506 149.2
[M+Na]+ 290.935448 158.3
[M-H]- 266.938954 155.3
[M+NH4]+ 285.980053 170.5
[M+K]+ 306.909388 143.5
[M+H-H2O]+ 250.943490 157.4
[M+HCOO]- 312.944431 163.6
[M+CH3COO]- 326.960081 199.1
[M+Na-2H]- 288.920896 153.2
[M]+ 267.94568142 180.3
[M]- 267.94677858 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.