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

5
Patents

217.03506 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.042336 140.5
[M+Na]+ 240.024278 150.3
[M-H]- 216.027784 139.1
[M+NH4]+ 235.068883 156.4
[M+K]+ 255.998218 147.6
[M+H-H2O]+ 200.032320 126.5
[M+HCOO]- 262.033261 155.4
[M+CH3COO]- 276.048911 195.8
[M+Na-2H]- 238.009726 144.9
[M]+ 217.03451142 132.1
[M]- 217.03560858 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