CID 125424515

2,4-dichloro-6-(trifluoromethyl)quinoline-3-carbonitrile

Structural Information

Molecular Formula
C11H3Cl2F3N2
SMILES
C1=CC2=C(C=C1C(F)(F)F)C(=C(C(=N2)Cl)C#N)Cl
InChI
InChI=1S/C11H3Cl2F3N2/c12-9-6-3-5(11(14,15)16)1-2-8(6)18-10(13)7(9)4-17/h1-3H
InChIKey
YIRBPYMZRPCWGF-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-(trifluoromethyl)quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.96252 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.96980 153.3
[M+Na]+ 312.95174 168.1
[M-H]- 288.95524 152.1
[M+NH4]+ 307.99634 168.8
[M+K]+ 328.92568 159.6
[M+H-H2O]+ 272.95978 139.7
[M+HCOO]- 334.96072 159.3
[M+CH3COO]- 348.97637 209.5
[M+Na-2H]- 310.93719 157.9
[M]+ 289.96197 148.7
[M]- 289.96307 148.7
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.