CID 12842710

1,5-dibromo-3,3-dimethylpentane

Structural Information

Molecular Formula
C7H14Br2
SMILES
CC(C)(CCBr)CCBr
InChI
InChI=1S/C7H14Br2/c1-7(2,3-5-8)4-6-9/h3-6H2,1-2H3
InChIKey
RITBDIOQNLAQSN-UHFFFAOYSA-N
Compound name
1,5-dibromo-3,3-dimethylpentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
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

literature stripe

Patent stripe

patents stripe