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

34
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 140.8
[M+Na]+ 278.93545 151.3
[M-H]- 254.93895 145.0
[M+NH4]+ 273.98005 161.6
[M+K]+ 294.90939 135.8
[M+H-H2O]+ 238.94349 149.3
[M+HCOO]- 300.94443 155.4
[M+CH3COO]- 314.96008 199.6
[M+Na-2H]- 276.92090 148.3
[M]+ 255.94568 175.2
[M]- 255.94678 175.2
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