CID 10856232

2,3,3-trifluoro-1-phenylprop-2-en-1-ol

Structural Information

Molecular Formula
C9H7F3O
SMILES
C1=CC=C(C=C1)C(C(=C(F)F)F)O
InChI
InChI=1S/C9H7F3O/c10-7(9(11)12)8(13)6-4-2-1-3-5-6/h1-5,8,13H
InChIKey
NMOVVCHJYUDXTN-UHFFFAOYSA-N
Compound name
2,3,3-trifluoro-1-phenylprop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.0449 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.052176 135.3
[M+Na]+ 211.034118 141.9
[M-H]- 187.037624 133.4
[M+NH4]+ 206.078723 153.8
[M+K]+ 227.008058 139.1
[M+H-H2O]+ 171.042160 127.2
[M+HCOO]- 233.043101 152.5
[M+CH3COO]- 247.058751 180.1
[M+Na-2H]- 209.019566 137.4
[M]+ 188.04435142 128.5
[M]- 188.04544858 128.5
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

No patent data available for this compound.