CID 11201

1,1-dibromoethane

Structural Information

Molecular Formula
C2H4Br2
SMILES
CC(Br)Br
InChI
InChI=1S/C2H4Br2/c1-2(3)4/h2H,1H3
InChIKey
APQIUTYORBAGEZ-UHFFFAOYSA-N
Compound name
1,1-dibromoethane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

5
References

27640
Patents

185.86798 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.87526 118.4
[M+Na]+ 208.85720 129.9
[M-H]- 184.86070 123.0
[M+NH4]+ 203.90180 141.1
[M+K]+ 224.83114 115.6
[M+H-H2O]+ 168.86524 127.3
[M+HCOO]- 230.86618 134.7
[M+CH3COO]- 244.88183 188.6
[M+Na-2H]- 206.84265 127.1
[M]+ 185.86743 151.2
[M]- 185.86853 151.2
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