CID 10727134

1h-isoindol-1-one, 2-(3-chloropropyl)-2,3-dihydro-

Structural Information

Molecular Formula
C11H12ClNO
SMILES
C1C2=CC=CC=C2C(=O)N1CCCCl
InChI
InChI=1S/C11H12ClNO/c12-6-3-7-13-8-9-4-1-2-5-10(9)11(13)14/h1-2,4-5H,3,6-8H2
InChIKey
GDLJUDTTZWXDLM-UHFFFAOYSA-N
Compound name
2-(3-chloropropyl)-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

209.06075 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.06803 144.7
[M+Na]+ 232.04997 154.5
[M-H]- 208.05347 147.7
[M+NH4]+ 227.09457 166.2
[M+K]+ 248.02391 149.6
[M+H-H2O]+ 192.05801 139.0
[M+HCOO]- 254.05895 162.2
[M+CH3COO]- 268.07460 184.9
[M+Na-2H]- 230.03542 149.4
[M]+ 209.06020 147.2
[M]- 209.06130 147.2
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