CID 87788089

5,5,5-trifluoropent-1-en-3-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

140.0449 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.05218 123.8
[M+Na]+ 163.03412 131.7
[M-H]- 139.03762 119.1
[M+NH4]+ 158.07872 144.7
[M+K]+ 179.00806 130.3
[M+H-H2O]+ 123.04216 117.7
[M+HCOO]- 185.04310 141.1
[M+CH3COO]- 199.05875 171.3
[M+Na-2H]- 161.01957 128.5
[M]+ 140.04435 118.5
[M]- 140.04545 118.5
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