CID 18368476

2-bromo-2,2-difluoroethan-1-ol

Structural Information

Molecular Formula
C2H3BrF2O
SMILES
C(C(F)(F)Br)O
InChI
InChI=1S/C2H3BrF2O/c3-2(4,5)1-6/h6H,1H2
InChIKey
ZAIZJZXPWYLNLE-UHFFFAOYSA-N
Compound name
2-bromo-2,2-difluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
Patents

159.93353 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.94081 123.2
[M+Na]+ 182.92275 135.5
[M-H]- 158.92625 123.2
[M+NH4]+ 177.96735 146.9
[M+K]+ 198.89669 125.4
[M+H-H2O]+ 142.93079 123.6
[M+HCOO]- 204.93173 141.0
[M+CH3COO]- 218.94738 171.6
[M+Na-2H]- 180.90820 132.0
[M]+ 159.93298 138.0
[M]- 159.93408 138.0
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