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

9
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 135.1
[M+Na]+ 226.00863 146.3
[M-H]- 202.01213 134.2
[M+NH4]+ 221.05323 151.9
[M+K]+ 241.98257 143.5
[M+H-H2O]+ 186.01667 121.4
[M+HCOO]- 248.01761 151.2
[M+CH3COO]- 262.03326 193.4
[M+Na-2H]- 223.99408 140.5
[M]+ 203.01886 127.3
[M]- 203.01996 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