CID 21393842

8-fluoro-7-(trifluoromethyl)isoquinoline

Structural Information

Molecular Formula
C10H5F4N
SMILES
C1=CC(=C(C2=C1C=CN=C2)F)C(F)(F)F
InChI
InChI=1S/C10H5F4N/c11-9-7-5-15-4-3-6(7)1-2-8(9)10(12,13)14/h1-5H
InChIKey
SDVXSEDQTXNZQO-UHFFFAOYSA-N
Compound name
8-fluoro-7-(trifluoromethyl)isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

215.03581 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.04309 139.5
[M+Na]+ 238.02503 150.7
[M-H]- 214.02853 138.2
[M+NH4]+ 233.06963 158.2
[M+K]+ 253.99897 146.1
[M+H-H2O]+ 198.03307 129.8
[M+HCOO]- 260.03401 156.4
[M+CH3COO]- 274.04966 187.5
[M+Na-2H]- 236.01048 147.2
[M]+ 215.03526 134.6
[M]- 215.03636 134.6
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

patents stripe