CID 79082

1,4-dibromopentane

Structural Information

Molecular Formula
C5H10Br2
SMILES
CC(CCCBr)Br
InChI
InChI=1S/C5H10Br2/c1-5(7)3-2-4-6/h5H,2-4H2,1H3
InChIKey
CNBFRBXEGGRSPL-UHFFFAOYSA-N
Compound name
1,4-dibromopentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

486
Patents

227.91493 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.92221 137.8
[M+Na]+ 250.90415 132.2
[M+NH4]+ 245.94875 140.1
[M+K]+ 266.87809 138.6
[M-H]- 226.90765 137.6
[M+Na-2H]- 248.88960 138.5
[M]+ 227.91438 135.8
[M]- 227.91548 135.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe