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]+ 231.05398 144.3
[M+Na]+ 253.03592 155.5
[M-H]- 229.03942 142.7
[M+NH4]+ 248.08052 162.1
[M+K]+ 269.00986 150.5
[M+H-H2O]+ 213.04396 134.5
[M+HCOO]- 275.04490 161.6
[M+CH3COO]- 289.06055 192.8
[M+Na-2H]- 251.02137 150.6
[M]+ 230.04615 138.1
[M]- 230.04725 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