CID 24208950

853316-82-2

Structural Information

Molecular Formula
C12H6F3NO
SMILES
C1=CC=C(C(=C1)C2=CC=C(O2)C#N)C(F)(F)F
InChI
InChI=1S/C12H6F3NO/c13-12(14,15)10-4-2-1-3-9(10)11-6-5-8(7-16)17-11/h1-6H
InChIKey
UIYISZKSAANMJY-UHFFFAOYSA-N
Compound name
5-[2-(trifluoromethyl)phenyl]furan-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.04015 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.04743 157.2
[M+Na]+ 260.02937 168.1
[M+NH4]+ 255.07397 160.2
[M+K]+ 276.00331 159.9
[M-H]- 236.03287 149.8
[M+Na-2H]- 258.01482 159.8
[M]+ 237.03960 155.9
[M]- 237.04070 155.9
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.