CID 14795866

5-chloroisoindoline hydrochloride

Structural Information

Molecular Formula
C8H8ClN
SMILES
C1C2=C(CN1)C=C(C=C2)Cl
InChI
InChI=1S/C8H8ClN/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3,10H,4-5H2
InChIKey
KDKRSWXFLFTSII-UHFFFAOYSA-N
Compound name
5-chloro-2,3-dihydro-1H-isoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

370
Patents

153.03453 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04181 129.1
[M+Na]+ 176.02375 138.7
[M-H]- 152.02725 130.8
[M+NH4]+ 171.06835 152.0
[M+K]+ 191.99769 133.7
[M+H-H2O]+ 136.03179 124.1
[M+HCOO]- 198.03273 145.7
[M+CH3COO]- 212.04838 142.8
[M+Na-2H]- 174.00920 135.7
[M]+ 153.03398 127.6
[M]- 153.03508 127.6
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