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]+ 204.026686 135.1
[M+Na]+ 226.008628 146.3
[M-H]- 202.012134 134.2
[M+NH4]+ 221.053233 151.9
[M+K]+ 241.982568 143.5
[M+H-H2O]+ 186.016670 121.4
[M+HCOO]- 248.017611 151.2
[M+CH3COO]- 262.033261 193.4
[M+Na-2H]- 223.994076 140.5
[M]+ 203.01886142 127.3
[M]- 203.01995858 127.3
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