CID 152925

Dibromopropane

Structural Information

Molecular Formula
C3H6Br2
SMILES
CCC(Br)Br
InChI
InChI=1S/C3H6Br2/c1-2-3(4)5/h3H,2H2,1H3
InChIKey
ATWLRNODAYAMQS-UHFFFAOYSA-N
Compound name
1,1-dibromopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

6041
Patents

199.88364 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.890916 122.5
[M+Na]+ 222.872858 133.8
[M-H]- 198.876364 127.1
[M+NH4]+ 217.917463 144.9
[M+K]+ 238.846798 119.3
[M+H-H2O]+ 182.880900 131.3
[M+HCOO]- 244.881841 138.6
[M+CH3COO]- 258.897491 190.8
[M+Na-2H]- 220.858306 130.8
[M]+ 199.88309142 155.7
[M]- 199.88418858 155.7
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