CID 10909642

1,1,1-trifluoropent-4-en-2-ol

Structural Information

Molecular Formula
C5H7F3O
SMILES
C=CCC(C(F)(F)F)O
InChI
InChI=1S/C5H7F3O/c1-2-3-4(9)5(6,7)8/h2,4,9H,1,3H2
InChIKey
LWFLVOBZYLXRMP-UHFFFAOYSA-N
Compound name
1,1,1-trifluoropent-4-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

219
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 133.1
[M+Na]+ 163.03412 140.0
[M+NH4]+ 158.07872 138.2
[M+K]+ 179.00806 136.0
[M-H]- 139.03762 127.2
[M+Na-2H]- 161.01957 134.2
[M]+ 140.04435 131.9
[M]- 140.04545 131.9
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