CID 10003

2,2,2-trifluoroethyl ethyl ether

Structural Information

Molecular Formula
C4H7F3O
SMILES
CCOCC(F)(F)F
InChI
InChI=1S/C4H7F3O/c1-2-8-3-4(5,6)7/h2-3H2,1H3
InChIKey
ZKNHDJMXIUOHLX-UHFFFAOYSA-N
Compound name
2-ethoxy-1,1,1-trifluoroethane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1684
Patents

128.0449 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05218 119.9
[M+Na]+ 151.03412 128.6
[M-H]- 127.03762 116.7
[M+NH4]+ 146.07872 142.2
[M+K]+ 167.00806 128.6
[M+H-H2O]+ 111.04216 113.7
[M+HCOO]- 173.04310 139.9
[M+CH3COO]- 187.05875 171.2
[M+Na-2H]- 149.01957 127.0
[M]+ 128.04435 117.6
[M]- 128.04545 117.6
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