CID 66222

1,1,2-tribromoethane

Structural Information

Molecular Formula
C2H3Br3
SMILES
C(C(Br)Br)Br
InChI
InChI=1S/C2H3Br3/c3-1-2(4)5/h2H,1H2
InChIKey
QUMDOMSJJIFTCA-UHFFFAOYSA-N
Compound name
1,1,2-tribromoethane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

1651
Patents

263.7785 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.785776 125.4
[M+Na]+ 286.767718 134.1
[M-H]- 262.771224 129.5
[M+NH4]+ 281.812323 142.4
[M+K]+ 302.741658 118.9
[M+H-H2O]+ 246.775760 140.5
[M+HCOO]- 308.776701 135.9
[M+CH3COO]- 322.792351 211.2
[M+Na-2H]- 284.753166 132.2
[M]+ 263.77795142 165.3
[M]- 263.77904858 165.3
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