CID 15208

1524-54-5

Structural Information

Molecular Formula
C5H7F3O
SMILES
C=CCOCC(F)(F)F
InChI
InChI=1S/C5H7F3O/c1-2-3-9-4-5(6,7)8/h2H,1,3-4H2
InChIKey
NOTCQEKRIPQPAW-UHFFFAOYSA-N
Compound name
3-(2,2,2-trifluoroethoxy)prop-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

113
Patents

140.0449 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.05218 123.0
[M+Na]+ 163.03412 131.6
[M-H]- 139.03762 119.7
[M+NH4]+ 158.07872 144.8
[M+K]+ 179.00806 130.7
[M+H-H2O]+ 123.04216 116.7
[M+HCOO]- 185.04310 142.9
[M+CH3COO]- 199.05875 173.3
[M+Na-2H]- 161.01957 129.6
[M]+ 140.04435 120.4
[M]- 140.04545 120.4
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