CID 59224424

956100-74-6

Structural Information

Molecular Formula
C10H6F4N2
SMILES
C1=C(C=C(C2=CC(=NC=C21)N)C(F)(F)F)F
InChI
InChI=1S/C10H6F4N2/c11-6-1-5-4-16-9(15)3-7(5)8(2-6)10(12,13)14/h1-4H,(H2,15,16)
InChIKey
UNBBJDNYUTVMAY-UHFFFAOYSA-N
Compound name
7-fluoro-5-(trifluoromethyl)isoquinolin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

230.0467 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.053976 144.3
[M+Na]+ 253.035918 155.5
[M-H]- 229.039424 142.7
[M+NH4]+ 248.080523 162.1
[M+K]+ 269.009858 150.5
[M+H-H2O]+ 213.043960 134.5
[M+HCOO]- 275.044901 161.6
[M+CH3COO]- 289.060551 192.8
[M+Na-2H]- 251.021366 150.6
[M]+ 230.04615142 138.1
[M]- 230.04724858 138.1
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