CID 59382308

697305-97-8

Structural Information

Molecular Formula
C10H9F3N2O
SMILES
C1C2=C(CN1C(=O)C(F)(F)F)C=C(C=C2)N
InChI
InChI=1S/C10H9F3N2O/c11-10(12,13)9(16)15-4-6-1-2-8(14)3-7(6)5-15/h1-3H,4-5,14H2
InChIKey
GLZWTOBGMDMQCW-UHFFFAOYSA-N
Compound name
1-(5-amino-1,3-dihydroisoindol-2-yl)-2,2,2-trifluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

230.0667 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07398 145.8
[M+Na]+ 253.05592 154.9
[M-H]- 229.05942 145.1
[M+NH4]+ 248.10052 165.1
[M+K]+ 269.02986 151.3
[M+H-H2O]+ 213.06396 137.5
[M+HCOO]- 275.06490 163.0
[M+CH3COO]- 289.08055 190.4
[M+Na-2H]- 251.04137 149.0
[M]+ 230.06615 139.8
[M]- 230.06725 139.8
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

patents stripe