CID 49846599

1258453-75-6

Structural Information

Molecular Formula
C16H10ClF3N2O
SMILES
C1=CC2=C(C(=C1)Cl)N=C(C=C2)NC3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C16H10ClF3N2O/c17-13-3-1-2-10-4-9-14(22-15(10)13)21-11-5-7-12(8-6-11)23-16(18,19)20/h1-9H,(H,21,22)
InChIKey
OZOGDCZJYVSUBR-UHFFFAOYSA-N
Compound name
8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

1277
Patents

338.04337 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.050646 171.9
[M+Na]+ 361.032588 182.4
[M-H]- 337.036094 174.4
[M+NH4]+ 356.077193 185.8
[M+K]+ 377.006528 175.0
[M+H-H2O]+ 321.040630 161.1
[M+HCOO]- 383.041571 185.8
[M+CH3COO]- 397.057221 210.1
[M+Na-2H]- 359.018036 178.7
[M]+ 338.04282142 171.4
[M]- 338.04391858 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe