CID 5018827

2-methoxy-5-(trifluoromethoxy)benzonitrile

Structural Information

Molecular Formula
C9H6F3NO2
SMILES
COC1=C(C=C(C=C1)OC(F)(F)F)C#N
InChI
InChI=1S/C9H6F3NO2/c1-14-8-3-2-7(4-6(8)5-13)15-9(10,11)12/h2-4H,1H3
InChIKey
FJFWRXJVLWLALW-UHFFFAOYSA-N
Compound name
2-methoxy-5-(trifluoromethoxy)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.03506 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.04234 137.8
[M+Na]+ 240.02428 149.0
[M-H]- 216.02778 137.9
[M+NH4]+ 235.06888 154.7
[M+K]+ 255.99822 146.7
[M+H-H2O]+ 200.03232 123.7
[M+HCOO]- 262.03326 154.9
[M+CH3COO]- 276.04891 198.5
[M+Na-2H]- 238.00973 143.2
[M]+ 217.03451 132.0
[M]- 217.03561 132.0
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.