CID 24689325

1-chloro-3-(2,2,2-trifluoroethoxy)propane

Structural Information

Molecular Formula
C5H8ClF3O
SMILES
C(COCC(F)(F)F)CCl
InChI
InChI=1S/C5H8ClF3O/c6-2-1-3-10-4-5(7,8)9/h1-4H2
InChIKey
USXNIUALXMBUCV-UHFFFAOYSA-N
Compound name
1-chloro-3-(2,2,2-trifluoroethoxy)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.02158 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02886 129.0
[M+Na]+ 199.01080 138.0
[M-H]- 175.01430 125.4
[M+NH4]+ 194.05540 150.2
[M+K]+ 214.98474 135.5
[M+H-H2O]+ 159.01884 123.3
[M+HCOO]- 221.01978 144.2
[M+CH3COO]- 235.03543 178.1
[M+Na-2H]- 196.99625 135.2
[M]+ 176.02103 128.9
[M]- 176.02213 128.9
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

No patent data available for this compound.