CID 12846025

1-bromo-2-(trifluoromethoxy)ethane

Structural Information

Molecular Formula
C3H4BrF3O
SMILES
C(CBr)OC(F)(F)F
InChI
InChI=1S/C3H4BrF3O/c4-1-2-8-3(5,6)7/h1-2H2
InChIKey
YLLDCQMJIXHFQZ-UHFFFAOYSA-N
Compound name
1-bromo-2-(trifluoromethoxy)ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

266
Patents

191.93976 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.94704 130.7
[M+Na]+ 214.92898 143.1
[M-H]- 190.93248 130.5
[M+NH4]+ 209.97358 153.8
[M+K]+ 230.90292 133.3
[M+H-H2O]+ 174.93702 129.8
[M+HCOO]- 236.93796 148.6
[M+CH3COO]- 250.95361 179.1
[M+Na-2H]- 212.91443 138.8
[M]+ 191.93921 146.3
[M]- 191.94031 146.3
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