CID 49775

2-(2-chloroethyl)isoindoline hydrochloride

Structural Information

Molecular Formula
C10H12ClN
SMILES
C1C2=CC=CC=C2CN1CCCl
InChI
InChI=1S/C10H12ClN/c11-5-6-12-7-9-3-1-2-4-10(9)8-12/h1-4H,5-8H2
InChIKey
AQCFDAXYYWZJHI-UHFFFAOYSA-N
Compound name
2-(2-chloroethyl)-1,3-dihydroisoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

181.06583 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.07311 138.2
[M+Na]+ 204.05505 147.3
[M-H]- 180.05855 140.9
[M+NH4]+ 199.09965 160.7
[M+K]+ 220.02899 142.7
[M+H-H2O]+ 164.06309 132.4
[M+HCOO]- 226.06403 155.6
[M+CH3COO]- 240.07968 151.7
[M+Na-2H]- 202.04050 144.1
[M]+ 181.06528 139.2
[M]- 181.06638 139.2
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