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]+ 246.073636 146.0
[M+Na]+ 268.055578 156.4
[M-H]- 244.059084 145.8
[M+NH4]+ 263.100183 161.9
[M+K]+ 284.029518 153.7
[M+H-H2O]+ 228.063620 131.5
[M+HCOO]- 290.064561 162.5
[M+CH3COO]- 304.080211 203.9
[M+Na-2H]- 266.041026 150.5
[M]+ 245.06581142 140.9
[M]- 245.06690858 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.