CID 22119013

6-amino-5-chloro-2,3-dihydro-1h-inden-1-one

Structural Information

Molecular Formula
C9H8ClNO
SMILES
C1CC(=O)C2=CC(=C(C=C21)Cl)N
InChI
InChI=1S/C9H8ClNO/c10-7-3-5-1-2-9(12)6(5)4-8(7)11/h3-4H,1-2,11H2
InChIKey
PHFHXNRLFZLFOO-UHFFFAOYSA-N
Compound name
6-amino-5-chloro-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

181.02943 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03671 135.4
[M+Na]+ 204.01865 146.3
[M-H]- 180.02215 140.1
[M+NH4]+ 199.06325 159.2
[M+K]+ 219.99259 141.4
[M+H-H2O]+ 164.02669 131.4
[M+HCOO]- 226.02763 155.4
[M+CH3COO]- 240.04328 181.6
[M+Na-2H]- 202.00410 140.1
[M]+ 181.02888 135.6
[M]- 181.02998 135.6
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

patents stripe