CID 5073852

2224-77-3

Structural Information

Molecular Formula
C14H10ClNO
SMILES
C1=CC=C2C(=C1)C(NC2=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H10ClNO/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(17)16-13/h1-8,13H,(H,16,17)
InChIKey
OMUHBVDRMKRVLW-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2,3-dihydroisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

243.04509 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.05237 152.4
[M+Na]+ 266.03431 162.9
[M-H]- 242.03781 157.7
[M+NH4]+ 261.07891 171.7
[M+K]+ 282.00825 155.7
[M+H-H2O]+ 226.04235 145.9
[M+HCOO]- 288.04329 168.9
[M+CH3COO]- 302.05894 165.2
[M+Na-2H]- 264.01976 156.6
[M]+ 243.04454 152.3
[M]- 243.04564 152.3
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