CID 45791829

2-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile

Structural Information

Molecular Formula
C11H10F3NO2
SMILES
COC1=C(C=CC(=C1)CC#N)OCC(F)(F)F
InChI
InChI=1S/C11H10F3NO2/c1-16-10-6-8(4-5-15)2-3-9(10)17-7-11(12,13)14/h2-3,6H,4,7H2,1H3
InChIKey
WCWNLAFKRNRWCD-UHFFFAOYSA-N
Compound name
2-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.06636 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.07364 146.0
[M+Na]+ 268.05558 156.4
[M-H]- 244.05908 145.8
[M+NH4]+ 263.10018 161.9
[M+K]+ 284.02952 153.7
[M+H-H2O]+ 228.06362 131.5
[M+HCOO]- 290.06456 162.5
[M+CH3COO]- 304.08021 203.9
[M+Na-2H]- 266.04103 150.5
[M]+ 245.06581 140.9
[M]- 245.06691 140.9
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.