CID 71360625

1-(2-chloro-1,1,2-trifluoroethoxy)propane

Structural Information

Molecular Formula
C5H8ClF3O
SMILES
CCCOC(C(F)Cl)(F)F
InChI
InChI=1S/C5H8ClF3O/c1-2-3-10-5(8,9)4(6)7/h4H,2-3H2,1H3
InChIKey
VAQBXLDLDMFYQU-UHFFFAOYSA-N
Compound name
1-(2-chloro-1,1,2-trifluoroethoxy)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

176.02158 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02886 128.5
[M+Na]+ 199.01080 137.3
[M-H]- 175.01430 125.1
[M+NH4]+ 194.05540 149.6
[M+K]+ 214.98474 135.1
[M+H-H2O]+ 159.01884 122.9
[M+HCOO]- 221.01978 142.8
[M+CH3COO]- 235.03543 179.6
[M+Na-2H]- 196.99625 133.6
[M]+ 176.02103 127.9
[M]- 176.02213 127.9
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