CID 19828971

2-(2-bromoethoxy)-1,1,1-trifluoroethane

Structural Information

Molecular Formula
C4H6BrF3O
SMILES
C(CBr)OCC(F)(F)F
InChI
InChI=1S/C4H6BrF3O/c5-1-2-9-3-4(6,7)8/h1-3H2
InChIKey
NNHQFVBLRGDVTN-UHFFFAOYSA-N
Compound name
2-(2-bromoethoxy)-1,1,1-trifluoroethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

205.95541 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.96269 135.4
[M+Na]+ 228.94463 147.5
[M-H]- 204.94813 135.1
[M+NH4]+ 223.98923 158.0
[M+K]+ 244.91857 137.4
[M+H-H2O]+ 188.95267 134.3
[M+HCOO]- 250.95361 153.0
[M+CH3COO]- 264.96926 181.9
[M+Na-2H]- 226.93008 142.9
[M]+ 205.95486 151.4
[M]- 205.95596 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe