CID 13048517

1-bromo-2-(bromomethyl)-3,3-dimethylbutane

Structural Information

Molecular Formula
C7H14Br2
SMILES
CC(C)(C)C(CBr)CBr
InChI
InChI=1S/C7H14Br2/c1-7(2,3)6(4-8)5-9/h6H,4-5H2,1-3H3
InChIKey
MYFVKCDXYJZKJS-UHFFFAOYSA-N
Compound name
1-bromo-2-(bromomethyl)-3,3-dimethylbutane
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 142.0
[M+Na]+ 278.93545 152.3
[M-H]- 254.93895 146.2
[M+NH4]+ 273.98005 162.7
[M+K]+ 294.90939 137.0
[M+H-H2O]+ 238.94349 150.4
[M+HCOO]- 300.94443 155.7
[M+CH3COO]- 314.96008 199.7
[M+Na-2H]- 276.92090 148.4
[M]+ 255.94568 175.7
[M]- 255.94678 175.7
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.