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

34150
Patents

123.95238 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.95966 115.2
[M+Na]+ 146.94160 127.0
[M-H]- 122.94510 117.5
[M+NH4]+ 141.98620 140.3
[M+K]+ 162.91554 117.6
[M+H-H2O]+ 106.94964 116.9
[M+HCOO]- 168.95058 136.5
[M+CH3COO]- 182.96623 166.2
[M+Na-2H]- 144.92705 124.9
[M]+ 123.95183 132.9
[M]- 123.95293 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