CID 14591679

1,4-dibromo-2,3-dimethylbutane

Structural Information

Molecular Formula
C6H12Br2
SMILES
CC(CBr)C(C)CBr
InChI
InChI=1S/C6H12Br2/c1-5(3-7)6(2)4-8/h5-6H,3-4H2,1-2H3
InChIKey
STFHKSYRFIGDIE-UHFFFAOYSA-N
Compound name
1,4-dibromo-2,3-dimethylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

241.93057 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.93785 136.4
[M+Na]+ 264.91979 146.4
[M-H]- 240.92329 140.5
[M+NH4]+ 259.96439 157.3
[M+K]+ 280.89373 131.4
[M+H-H2O]+ 224.92783 144.5
[M+HCOO]- 286.92877 150.8
[M+CH3COO]- 300.94442 198.3
[M+Na-2H]- 262.90524 142.0
[M]+ 241.93002 169.8
[M]- 241.93112 169.8
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