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

35
Patents

230.0667 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.073976 145.8
[M+Na]+ 253.055918 154.9
[M-H]- 229.059424 145.1
[M+NH4]+ 248.100523 165.1
[M+K]+ 269.029858 151.3
[M+H-H2O]+ 213.063960 137.5
[M+HCOO]- 275.064901 163.0
[M+CH3COO]- 289.080551 190.4
[M+Na-2H]- 251.041366 149.0
[M]+ 230.06615142 139.8
[M]- 230.06724858 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