CID 66545201

7-chloro-6-hydroxy-5-methyl-2,3-dihydro-1h-isoindol-1-one

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 138.5
[M+Na]+ 220.01357 150.1
[M-H]- 196.01707 139.9
[M+NH4]+ 215.05817 159.7
[M+K]+ 235.98751 144.4
[M+H-H2O]+ 180.02161 134.4
[M+HCOO]- 242.02255 153.9
[M+CH3COO]- 256.03820 178.3
[M+Na-2H]- 217.99902 142.1
[M]+ 197.02380 138.9
[M]- 197.02490 138.9
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.