CID 24707763

4-chloro-6,7,8-trifluoroquinoline-3-carbonitrile

Structural Information

Molecular Formula
C10H2ClF3N2
SMILES
C1=C2C(=C(C(=C1F)F)F)N=CC(=C2Cl)C#N
InChI
InChI=1S/C10H2ClF3N2/c11-7-4(2-15)3-16-10-5(7)1-6(12)8(13)9(10)14/h1,3H
InChIKey
SRZLLBCSDUNHPX-UHFFFAOYSA-N
Compound name
4-chloro-6,7,8-trifluoroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.98586 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.99314 139.4
[M+Na]+ 264.97508 154.7
[M-H]- 240.97858 139.0
[M+NH4]+ 260.01968 156.4
[M+K]+ 280.94902 147.2
[M+H-H2O]+ 224.98312 125.2
[M+HCOO]- 286.98406 151.7
[M+CH3COO]- 300.99971 151.3
[M+Na-2H]- 262.96053 144.3
[M]+ 241.98531 134.3
[M]- 241.98641 134.3
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.