CID 10898

2-bromoethanol

Structural Information

Molecular Formula
C2H5BrO
SMILES
C(CBr)O
InChI
InChI=1S/C2H5BrO/c3-1-2-4/h4H,1-2H2
InChIKey
LDLCZOVUSADOIV-UHFFFAOYSA-N
Compound name
2-bromoethanol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

45
References

34817
Patents

123.95238 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.959656 115.2
[M+Na]+ 146.941598 127.0
[M-H]- 122.945104 117.5
[M+NH4]+ 141.986203 140.3
[M+K]+ 162.915538 117.6
[M+H-H2O]+ 106.949640 116.9
[M+HCOO]- 168.950581 136.5
[M+CH3COO]- 182.966231 166.2
[M+Na-2H]- 144.927046 124.9
[M]+ 123.95183142 132.9
[M]- 123.95292858 132.9
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