CID 262103

N-(3-chloro-2-hydroxypropyl)-phthalimide

Structural Information

Molecular Formula
C11H10ClNO3
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CC(CCl)O
InChI
InChI=1S/C11H10ClNO3/c12-5-7(14)6-13-10(15)8-3-1-2-4-9(8)11(13)16/h1-4,7,14H,5-6H2
InChIKey
KBRVYEPWGIQEOF-UHFFFAOYSA-N
Compound name
2-(3-chloro-2-hydroxypropyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

239.03493 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.04221 149.0
[M+Na]+ 262.02415 159.1
[M-H]- 238.02765 151.2
[M+NH4]+ 257.06875 168.7
[M+K]+ 277.99809 154.3
[M+H-H2O]+ 222.03219 144.0
[M+HCOO]- 284.03313 164.7
[M+CH3COO]- 298.04878 187.7
[M+Na-2H]- 260.00960 151.7
[M]+ 239.03438 151.8
[M]- 239.03548 151.8
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.