CID 122151335

N-(2,3-dihydro-1h-isoindol-5-yl)-2,2,2-trifluoroacetamide hydrochloride

Structural Information

Molecular Formula
C10H9F3N2O
SMILES
C1C2=C(CN1)C=C(C=C2)NC(=O)C(F)(F)F
InChI
InChI=1S/C10H9F3N2O/c11-10(12,13)9(16)15-8-2-1-6-4-14-5-7(6)3-8/h1-3,14H,4-5H2,(H,15,16)
InChIKey
IMNIQIOSXBSRON-UHFFFAOYSA-N
Compound name
N-(2,3-dihydro-1H-isoindol-5-yl)-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 145.4
[M+Na]+ 253.05592 153.0
[M-H]- 229.05942 143.3
[M+NH4]+ 248.10052 163.8
[M+K]+ 269.02986 148.9
[M+H-H2O]+ 213.06396 136.9
[M+HCOO]- 275.06490 161.7
[M+CH3COO]- 289.08055 187.3
[M+Na-2H]- 251.04137 149.9
[M]+ 230.06615 138.1
[M]- 230.06725 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

No patent data available for this compound.