CID 8100

1,5-dibromopentane

Structural Information

Molecular Formula
C5H10Br2
SMILES
C(CCBr)CCBr
InChI
InChI=1S/C5H10Br2/c6-4-2-1-3-5-7/h1-5H2
InChIKey
IBODDUNKEPPBKW-UHFFFAOYSA-N
Compound name
1,5-dibromopentane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

10869
Patents

227.91493 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.92221 129.4
[M+Na]+ 250.90415 140.1
[M-H]- 226.90765 133.6
[M+NH4]+ 245.94875 150.9
[M+K]+ 266.87809 125.0
[M+H-H2O]+ 210.91219 137.9
[M+HCOO]- 272.91313 145.7
[M+CH3COO]- 286.92878 194.8
[M+Na-2H]- 248.88960 137.7
[M]+ 227.91438 163.6
[M]- 227.91548 163.6
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