CID 124784312

6-nitro-8-(trifluoromethyl)quinolin-5-amine

Structural Information

Molecular Formula
C10H6F3N3O2
SMILES
C1=CC2=C(C(=CC(=C2N)[N+](=O)[O-])C(F)(F)F)N=C1
InChI
InChI=1S/C10H6F3N3O2/c11-10(12,13)6-4-7(16(17)18)8(14)5-2-1-3-15-9(5)6/h1-4H,14H2
InChIKey
DOJJVCJAHAGLLD-UHFFFAOYSA-N
Compound name
6-nitro-8-(trifluoromethyl)quinolin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

257.0412 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.04848 146.7
[M+Na]+ 280.03042 156.1
[M-H]- 256.03392 146.4
[M+NH4]+ 275.07502 162.3
[M+K]+ 296.00436 148.0
[M+H-H2O]+ 240.03846 142.1
[M+HCOO]- 302.03940 166.3
[M+CH3COO]- 316.05505 191.1
[M+Na-2H]- 278.01587 155.7
[M]+ 257.04065 140.6
[M]- 257.04175 140.6
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

patents stripe