CID 222657

1,2-dibromo-2-methylpropane

Structural Information

Molecular Formula
C4H8Br2
SMILES
CC(C)(CBr)Br
InChI
InChI=1S/C4H8Br2/c1-4(2,6)3-5/h3H2,1-2H3
InChIKey
SDTXSEXYPROZSZ-UHFFFAOYSA-N
Compound name
1,2-dibromo-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

908
Patents

213.89928 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.906556 128.3
[M+Na]+ 236.888498 139.8
[M-H]- 212.892004 132.9
[M+NH4]+ 231.933103 150.4
[M+K]+ 252.862438 125.0
[M+H-H2O]+ 196.896540 137.3
[M+HCOO]- 258.897481 143.7
[M+CH3COO]- 272.913131 192.7
[M+Na-2H]- 234.873946 137.3
[M]+ 213.89873142 161.9
[M]- 213.89982858 161.9
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