CID 6400

2,2,2-tribromoethanol

Structural Information

Molecular Formula
C2H3Br3O
SMILES
C(C(Br)(Br)Br)O
InChI
InChI=1S/C2H3Br3O/c3-2(4,5)1-6/h6H,1H2
InChIKey
YFDSDPIBEUFTMI-UHFFFAOYSA-N
Compound name
2,2,2-tribromoethanol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

543
References

18891
Patents

279.7734 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.78068 131.8
[M+Na]+ 302.76262 140.5
[M-H]- 278.76612 135.1
[M+NH4]+ 297.80722 148.1
[M+K]+ 318.73656 124.7
[M+H-H2O]+ 262.77066 146.9
[M+HCOO]- 324.77160 141.1
[M+CH3COO]- 338.78725 210.1
[M+Na-2H]- 300.74807 138.7
[M]+ 279.77285 171.3
[M]- 279.77395 171.3
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