CID 106258

3,3-bis(bromomethyl)pentane

Structural Information

Molecular Formula
C7H14Br2
SMILES
CCC(CC)(CBr)CBr
InChI
InChI=1S/C7H14Br2/c1-3-7(4-2,5-8)6-9/h3-6H2,1-2H3
InChIKey
ZIQNZEFIQWBNHV-UHFFFAOYSA-N
Compound name
3,3-bis(bromomethyl)pentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

33
Patents

255.94623 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.95351 146.3
[M+Na]+ 278.93545 140.5
[M+NH4]+ 273.98005 148.3
[M+K]+ 294.90939 146.6
[M-H]- 254.93895 145.7
[M+Na-2H]- 276.92090 146.5
[M]+ 255.94568 144.2
[M]- 255.94678 144.2
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

patents stripe