CID 137228

2,4-dibromopentane

Structural Information

Molecular Formula
C5H10Br2
SMILES
CC(CC(C)Br)Br
InChI
InChI=1S/C5H10Br2/c1-4(6)3-5(2)7/h4-5H,3H2,1-2H3
InChIKey
KUZOHDYKJXNCSI-UHFFFAOYSA-N
Compound name
2,4-dibromopentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

116
Patents

227.91493 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.92221 132.2
[M+Na]+ 250.90415 142.5
[M-H]- 226.90765 136.5
[M+NH4]+ 245.94875 153.5
[M+K]+ 266.87809 127.8
[M+H-H2O]+ 210.91219 140.5
[M+HCOO]- 272.91313 146.9
[M+CH3COO]- 286.92878 196.0
[M+Na-2H]- 248.88960 138.3
[M]+ 227.91438 165.3
[M]- 227.91548 165.3
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