CID 14795868

4-chloroisoindoline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
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 127.4
[M+Na]+ 176.02375 141.2
[M+NH4]+ 171.06835 137.9
[M+K]+ 191.99769 135.1
[M-H]- 152.02725 129.7
[M+Na-2H]- 174.00920 134.1
[M]+ 153.03398 130.3
[M]- 153.03508 130.3
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