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]+ 181.057186 132.3
[M+Na]+ 203.039128 143.4
[M-H]- 179.042634 133.3
[M+NH4]+ 198.083733 152.2
[M+K]+ 219.013068 139.1
[M+H-H2O]+ 163.047170 124.1
[M+HCOO]- 225.048111 153.8
[M+CH3COO]- 239.063761 145.8
[M+Na-2H]- 201.024576 139.9
[M]+ 180.04936142 128.8
[M]- 180.05045858 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.