CID 278836

1700-98-7

Structural Information

Molecular Formula
C14H7ClF3N
SMILES
C1=CC=C2C(=C1)C=CC3=C2N=C(C=C3Cl)C(F)(F)F
InChI
InChI=1S/C14H7ClF3N/c15-11-7-12(14(16,17)18)19-13-9-4-2-1-3-8(9)5-6-10(11)13/h1-7H
InChIKey
OBVVLJFCSBGQNR-UHFFFAOYSA-N
Compound name
4-chloro-2-(trifluoromethyl)benzo[h]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.0219 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.02918 156.0
[M+Na]+ 304.01112 169.5
[M-H]- 280.01462 157.0
[M+NH4]+ 299.05572 174.2
[M+K]+ 319.98506 161.7
[M+H-H2O]+ 264.01916 146.8
[M+HCOO]- 326.02010 169.2
[M+CH3COO]- 340.03575 168.4
[M+Na-2H]- 301.99657 164.9
[M]+ 281.02135 156.7
[M]- 281.02245 156.7
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.