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]+ 231.073976 145.4
[M+Na]+ 253.055918 153.0
[M-H]- 229.059424 143.3
[M+NH4]+ 248.100523 163.8
[M+K]+ 269.029858 148.9
[M+H-H2O]+ 213.063960 136.9
[M+HCOO]- 275.064901 161.7
[M+CH3COO]- 289.080551 187.3
[M+Na-2H]- 251.041366 149.9
[M]+ 230.06615142 138.1
[M]- 230.06724858 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.