CID 45599373

4-amino-7,8-difluoroquinoline

Structural Information

Molecular Formula
C9H6F2N2
SMILES
C1=CC(=C(C2=NC=CC(=C21)N)F)F
InChI
InChI=1S/C9H6F2N2/c10-6-2-1-5-7(12)3-4-13-9(5)8(6)11/h1-4H,(H2,12,13)
InChIKey
ANZXGIJRDZNLHQ-UHFFFAOYSA-N
Compound name
7,8-difluoroquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.04991 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05719 132.3
[M+Na]+ 203.03913 143.4
[M-H]- 179.04263 133.3
[M+NH4]+ 198.08373 152.2
[M+K]+ 219.01307 139.1
[M+H-H2O]+ 163.04717 124.1
[M+HCOO]- 225.04811 153.8
[M+CH3COO]- 239.06376 145.8
[M+Na-2H]- 201.02458 139.9
[M]+ 180.04936 128.8
[M]- 180.05046 128.8
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.