CID 141113

1,3-dibromo-3-methylbutane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

227.91493 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.92221 139.5
[M+Na]+ 250.90415 133.9
[M+NH4]+ 245.94875 141.7
[M+K]+ 266.87809 140.4
[M-H]- 226.90765 139.0
[M+Na-2H]- 248.88960 140.1
[M]+ 227.91438 137.4
[M]- 227.91548 137.4
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