CID 79445316

1-bromo-2-(bromomethyl)-4-methylpentane

Structural Information

Molecular Formula
C7H14Br2
SMILES
CC(C)CC(CBr)CBr
InChI
InChI=1S/C7H14Br2/c1-6(2)3-7(4-8)5-9/h6-7H,3-5H2,1-2H3
InChIKey
XPQJUJUKEMMSKO-UHFFFAOYSA-N
Compound name
1-bromo-2-(bromomethyl)-4-methylpentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.94623 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.95351 140.6
[M+Na]+ 278.93545 150.2
[M-H]- 254.93895 144.5
[M+NH4]+ 273.98005 161.0
[M+K]+ 294.90939 135.1
[M+H-H2O]+ 238.94349 148.5
[M+HCOO]- 300.94443 154.7
[M+CH3COO]- 314.96008 200.6
[M+Na-2H]- 276.92090 145.7
[M]+ 255.94568 174.2
[M]- 255.94678 174.2
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

No patent data available for this compound.