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

238
Patents

191.93976 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.947036 130.7
[M+Na]+ 214.928978 143.1
[M-H]- 190.932484 130.5
[M+NH4]+ 209.973583 153.8
[M+K]+ 230.902918 133.3
[M+H-H2O]+ 174.937020 129.8
[M+HCOO]- 236.937961 148.6
[M+CH3COO]- 250.953611 179.1
[M+Na-2H]- 212.914426 138.8
[M]+ 191.93921142 146.3
[M]- 191.94030858 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