CID 1480686

4-chloro-1,3-dihydro-2h-indol-2-one

Structural Information

Molecular Formula
C8H6ClNO
SMILES
C1C2=C(C=CC=C2Cl)NC1=O
InChI
InChI=1S/C8H6ClNO/c9-6-2-1-3-7-5(6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
InChIKey
XNSPDJAXCBZCRV-UHFFFAOYSA-N
Compound name
4-chloro-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

166
Patents

167.0138 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.021076 130.9
[M+Na]+ 190.003018 141.7
[M-H]- 166.006524 133.1
[M+NH4]+ 185.047623 153.5
[M+K]+ 205.976958 136.6
[M+H-H2O]+ 150.011060 126.2
[M+HCOO]- 212.012001 148.0
[M+CH3COO]- 226.027651 144.9
[M+Na-2H]- 187.988466 136.9
[M]+ 167.01325142 130.6
[M]- 167.01434858 130.6
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