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 146.5
[M+Na]+ 260.02937 158.4
[M-H]- 236.03287 149.2
[M+NH4]+ 255.07397 162.7
[M+K]+ 276.00331 154.1
[M+H-H2O]+ 220.03741 131.5
[M+HCOO]- 282.03835 163.5
[M+CH3COO]- 296.05400 200.7
[M+Na-2H]- 258.01482 151.0
[M]+ 237.03960 139.3
[M]- 237.04070 139.3
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

No patent data available for this compound.