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

31
Patents

202.06055 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.06783 139.3
[M+Na]+ 225.04977 147.3
[M-H]- 201.05327 138.8
[M+NH4]+ 220.09437 158.4
[M+K]+ 241.02371 144.2
[M+H-H2O]+ 185.05781 131.1
[M+HCOO]- 247.05875 159.2
[M+CH3COO]- 261.07440 182.8
[M+Na-2H]- 223.03522 145.8
[M]+ 202.06000 136.1
[M]- 202.06110 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