CID 155858304

2-chloro-4-(trifluoromethyl)quinoline-3-carbonitrile

Structural Information

Molecular Formula
C11H4ClF3N2
SMILES
C1=CC=C2C(=C1)C(=C(C(=N2)Cl)C#N)C(F)(F)F
InChI
InChI=1S/C11H4ClF3N2/c12-10-7(5-16)9(11(13,14)15)6-3-1-2-4-8(6)17-10/h1-4H
InChIKey
KRJNNNDBWSCOFT-UHFFFAOYSA-N
Compound name
2-chloro-4-(trifluoromethyl)quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.0015 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.00878 148.7
[M+Na]+ 278.99072 162.4
[M-H]- 254.99422 147.8
[M+NH4]+ 274.03532 164.7
[M+K]+ 294.96466 154.9
[M+H-H2O]+ 238.99876 134.2
[M+HCOO]- 300.99970 159.2
[M+CH3COO]- 315.01535 204.6
[M+Na-2H]- 276.97617 154.6
[M]+ 256.00095 142.6
[M]- 256.00205 142.6
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.