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

117
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

literature stripe

Patent stripe

patents stripe