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]+ 189.05218 135.3
[M+Na]+ 211.03412 141.9
[M-H]- 187.03762 133.4
[M+NH4]+ 206.07872 153.8
[M+K]+ 227.00806 139.1
[M+H-H2O]+ 171.04216 127.2
[M+HCOO]- 233.04310 152.5
[M+CH3COO]- 247.05875 180.1
[M+Na-2H]- 209.01957 137.4
[M]+ 188.04435 128.5
[M]- 188.04545 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.