CID 43436607

2-hydroxy-2-[2-(trifluoromethoxy)phenyl]acetonitrile

Structural Information

Molecular Formula
C9H6F3NO2
SMILES
C1=CC=C(C(=C1)C(C#N)O)OC(F)(F)F
InChI
InChI=1S/C9H6F3NO2/c10-9(11,12)15-8-4-2-1-3-6(8)7(14)5-13/h1-4,7,14H
InChIKey
XHTRAWISZBOKQO-UHFFFAOYSA-N
Compound name
2-hydroxy-2-[2-(trifluoromethoxy)phenyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

217.03506 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.04234 140.5
[M+Na]+ 240.02428 150.3
[M-H]- 216.02778 139.1
[M+NH4]+ 235.06888 156.4
[M+K]+ 255.99822 147.6
[M+H-H2O]+ 200.03232 126.5
[M+HCOO]- 262.03326 155.4
[M+CH3COO]- 276.04891 195.8
[M+Na-2H]- 238.00973 144.9
[M]+ 217.03451 132.1
[M]- 217.03561 132.1
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