CID 79491

1,3-dibromo-2,2-dimethylpropane

Structural Information

Molecular Formula
C5H10Br2
SMILES
CC(C)(CBr)CBr
InChI
InChI=1S/C5H10Br2/c1-5(2,3-6)4-7/h3-4H2,1-2H3
InChIKey
UXAFLFGXSIWWMY-UHFFFAOYSA-N
Compound name
1,3-dibromo-2,2-dimethylpropane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

238
Patents

227.91493 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.92221 132.5
[M+Na]+ 250.90415 143.7
[M-H]- 226.90765 137.0
[M+NH4]+ 245.94875 154.1
[M+K]+ 266.87809 128.6
[M+H-H2O]+ 210.91219 141.3
[M+HCOO]- 272.91313 147.6
[M+CH3COO]- 286.92878 195.0
[M+Na-2H]- 248.88960 141.0
[M]+ 227.91438 166.3
[M]- 227.91548 166.3
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