CID 168448705

2',3,5-trifluoro-4'-hydroxy-[1,1'-biphenyl]-4-carbonitrile

Structural Information

Molecular Formula
C13H6F3NO
SMILES
C1=CC(=C(C=C1O)F)C2=CC(=C(C(=C2)F)C#N)F
InChI
InChI=1S/C13H6F3NO/c14-11-3-7(4-12(15)10(11)6-17)9-2-1-8(18)5-13(9)16/h1-5,18H
InChIKey
LHKYIFGGFBNCQK-UHFFFAOYSA-N
Compound name
2,6-difluoro-4-(2-fluoro-4-hydroxyphenyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.04015 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.04743 148.6
[M+Na]+ 272.02937 161.6
[M-H]- 248.03287 150.3
[M+NH4]+ 267.07397 163.9
[M+K]+ 288.00331 155.2
[M+H-H2O]+ 232.03741 133.6
[M+HCOO]- 294.03835 165.5
[M+CH3COO]- 308.05400 204.6
[M+Na-2H]- 270.01482 151.0
[M]+ 249.03960 140.5
[M]- 249.04070 140.5
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

No patent data available for this compound.