CID 2777933

4,5,5-trifluoro-4-penten-1-ol

Structural Information

Molecular Formula
C5H7F3O
SMILES
C(CC(=C(F)F)F)CO
InChI
InChI=1S/C5H7F3O/c6-4(5(7)8)2-1-3-9/h9H,1-3H2
InChIKey
FQJKNDRBOYATRC-UHFFFAOYSA-N
Compound name
4,5,5-trifluoropent-4-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

140.0449 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.05218 124.5
[M+Na]+ 163.03412 131.6
[M-H]- 139.03762 119.5
[M+NH4]+ 158.07872 145.2
[M+K]+ 179.00806 130.3
[M+H-H2O]+ 123.04216 117.7
[M+HCOO]- 185.04310 142.3
[M+CH3COO]- 199.05875 171.9
[M+Na-2H]- 161.01957 127.3
[M]+ 140.04435 119.1
[M]- 140.04545 119.1
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