CID 499386

Nsc673819

Structural Information

Molecular Formula
C12H15F3O2
SMILES
CCOC(C1=CC=C(C=C1)C(F)(F)F)OCC
InChI
InChI=1S/C12H15F3O2/c1-3-16-11(17-4-2)9-5-7-10(8-6-9)12(13,14)15/h5-8,11H,3-4H2,1-2H3
InChIKey
FQHWGMXOCBPVHF-UHFFFAOYSA-N
Compound name
1-(diethoxymethyl)-4-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.10242 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10970 152.7
[M+Na]+ 271.09164 160.2
[M-H]- 247.09514 152.3
[M+NH4]+ 266.13624 170.2
[M+K]+ 287.06558 158.2
[M+H-H2O]+ 231.09968 144.2
[M+HCOO]- 293.10062 171.0
[M+CH3COO]- 307.11627 194.3
[M+Na-2H]- 269.07709 156.3
[M]+ 248.10187 152.2
[M]- 248.10297 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.