CID 16728107

N-[2,8-bis(trifluoromethyl)-4-quinolyl]hydroxylamine

Structural Information

Molecular Formula
C11H6F6N2O
SMILES
C1=CC2=C(C(=C1)C(F)(F)F)N=C(C=C2NO)C(F)(F)F
InChI
InChI=1S/C11H6F6N2O/c12-10(13,14)6-3-1-2-5-7(19-20)4-8(11(15,16)17)18-9(5)6/h1-4,20H,(H,18,19)
InChIKey
RPBHBHHJLDYGLJ-UHFFFAOYSA-N
Compound name
N-[2,8-bis(trifluoromethyl)quinolin-4-yl]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.03842 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.04570 158.7
[M+Na]+ 319.02764 169.5
[M-H]- 295.03114 153.7
[M+NH4]+ 314.07224 173.2
[M+K]+ 335.00158 163.9
[M+H-H2O]+ 279.03568 147.5
[M+HCOO]- 341.03662 171.1
[M+CH3COO]- 355.05227 201.6
[M+Na-2H]- 317.01309 164.7
[M]+ 296.03787 150.3
[M]- 296.03897 150.3
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.