CID 16119437

(e)-2-(trifluoromethyl)vinyl benzyl ether

Structural Information

Molecular Formula
C10H9F3O
SMILES
C1=CC=C(C=C1)CO/C=C/C(F)(F)F
InChI
InChI=1S/C10H9F3O/c11-10(12,13)6-7-14-8-9-4-2-1-3-5-9/h1-7H,8H2/b7-6+
InChIKey
VQPAEZXUOGRKIL-VOTSOKGWSA-N
Compound name
[(E)-3,3,3-trifluoroprop-1-enoxy]methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

202.06055 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.067826 139.3
[M+Na]+ 225.049768 147.3
[M-H]- 201.053274 138.8
[M+NH4]+ 220.094373 158.4
[M+K]+ 241.023708 144.2
[M+H-H2O]+ 185.057810 131.1
[M+HCOO]- 247.058751 159.2
[M+CH3COO]- 261.074401 182.8
[M+Na-2H]- 223.035216 145.8
[M]+ 202.06000142 136.1
[M]- 202.06109858 136.1
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