CID 28332714

8-(difluoromethoxy)quinolin-5-amine

Structural Information

Molecular Formula
C10H8F2N2O
SMILES
C1=CC2=C(C=CC(=C2N=C1)OC(F)F)N
InChI
InChI=1S/C10H8F2N2O/c11-10(12)15-8-4-3-7(13)6-2-1-5-14-9(6)8/h1-5,10H,13H2
InChIKey
IRUAVMYTXAUCEZ-UHFFFAOYSA-N
Compound name
8-(difluoromethoxy)quinolin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.06047 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06775 140.4
[M+Na]+ 233.04969 149.7
[M-H]- 209.05319 140.9
[M+NH4]+ 228.09429 158.5
[M+K]+ 249.02363 146.1
[M+H-H2O]+ 193.05773 131.6
[M+HCOO]- 255.05867 160.7
[M+CH3COO]- 269.07432 189.2
[M+Na-2H]- 231.03514 146.9
[M]+ 210.05992 137.6
[M]- 210.06102 137.6
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

No patent data available for this compound.