CID 54390282

2-(trifluoromethyl)quinolin-3-amine hydrochloride

Structural Information

Molecular Formula
C10H7F3N2
SMILES
C1=CC=C2C(=C1)C=C(C(=N2)C(F)(F)F)N
InChI
InChI=1S/C10H7F3N2/c11-10(12,13)9-7(14)5-6-3-1-2-4-8(6)15-9/h1-5H,14H2
InChIKey
OGKZZXVXLZCMQW-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)quinolin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

212.05614 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06342 141.0
[M+Na]+ 235.04536 151.3
[M-H]- 211.04886 140.4
[M+NH4]+ 230.08996 159.3
[M+K]+ 251.01930 146.7
[M+H-H2O]+ 195.05340 132.1
[M+HCOO]- 257.05434 159.5
[M+CH3COO]- 271.06999 188.7
[M+Na-2H]- 233.03081 148.7
[M]+ 212.05559 135.7
[M]- 212.05669 135.7
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

patents stripe