CID 317067

1,2-dibromo-3,3-dimethylbutane

Structural Information

Molecular Formula
C6H12Br2
SMILES
CC(C)(C)C(CBr)Br
InChI
InChI=1S/C6H12Br2/c1-6(2,3)5(8)4-7/h5H,4H2,1-3H3
InChIKey
WNIGXZWEUAJOHE-UHFFFAOYSA-N
Compound name
1,2-dibromo-3,3-dimethylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

241.93057 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.93785 137.8
[M+Na]+ 264.91979 148.4
[M-H]- 240.92329 142.1
[M+NH4]+ 259.96439 158.9
[M+K]+ 280.89373 133.4
[M+H-H2O]+ 224.92783 146.4
[M+HCOO]- 286.92877 151.8
[M+CH3COO]- 300.94442 197.4
[M+Na-2H]- 262.90524 144.7
[M]+ 241.93002 171.2
[M]- 241.93112 171.2
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