CID 2777232

2-(trifluoromethoxy)benzonitrile

Structural Information

Molecular Formula
C8H4F3NO
SMILES
C1=CC=C(C(=C1)C#N)OC(F)(F)F
InChI
InChI=1S/C8H4F3NO/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1-4H
InChIKey
ACNBBQGAWMHXLA-UHFFFAOYSA-N
Compound name
2-(trifluoromethoxy)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

267
Patents

187.0245 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.03178 142.7
[M+Na]+ 210.01372 152.9
[M+NH4]+ 205.05832 145.6
[M+K]+ 225.98766 143.8
[M-H]- 186.01722 133.0
[M+Na-2H]- 207.99917 145.1
[M]+ 187.02395 140.5
[M]- 187.02505 140.5
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