CID 66545201

1353878-10-0

Structural Information

Molecular Formula
C9H8ClNO2
SMILES
CC1=CC2=C(C(=C1O)Cl)C(=O)NC2
InChI
InChI=1S/C9H8ClNO2/c1-4-2-5-3-11-9(13)6(5)7(10)8(4)12/h2,12H,3H2,1H3,(H,11,13)
InChIKey
QVDBWIVQDRJMDO-UHFFFAOYSA-N
Compound name
7-chloro-6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.02435 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03163 137.2
[M+Na]+ 220.01357 150.3
[M+NH4]+ 215.05817 145.7
[M+K]+ 235.98751 145.9
[M-H]- 196.01707 137.7
[M+Na-2H]- 217.99902 141.2
[M]+ 197.02380 139.3
[M]- 197.02490 139.3
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

No patent data available for this compound.