CID 24721643

2-hydroxy-5-(trifluoromethoxy)benzonitrile

Structural Information

Molecular Formula
C8H4F3NO2
SMILES
C1=CC(=C(C=C1OC(F)(F)F)C#N)O
InChI
InChI=1S/C8H4F3NO2/c9-8(10,11)14-6-1-2-7(13)5(3-6)4-12/h1-3,13H
InChIKey
GOAVRYAOBXORSY-UHFFFAOYSA-N
Compound name
2-hydroxy-5-(trifluoromethoxy)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

203.01941 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.02669 144.6
[M+Na]+ 226.00863 154.2
[M+NH4]+ 221.05323 146.8
[M+K]+ 241.98257 146.1
[M-H]- 202.01213 134.1
[M+Na-2H]- 223.99408 146.1
[M]+ 203.01886 142.1
[M]- 203.01996 142.1
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