CID 367153

15875-54-4

Structural Information

Molecular Formula
C16H9ClO2
SMILES
C1=CC=C2C(=C1)C(=O)C(=CC3=CC=C(C=C3)Cl)C2=O
InChI
InChI=1S/C16H9ClO2/c17-11-7-5-10(6-8-11)9-14-15(18)12-3-1-2-4-13(12)16(14)19/h1-9H
InChIKey
DPSNBOGJIUODEX-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methylidene]indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

268.0291 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.03638 158.4
[M+Na]+ 291.01832 169.9
[M-H]- 267.02182 166.7
[M+NH4]+ 286.06292 178.9
[M+K]+ 306.99226 162.7
[M+H-H2O]+ 251.02636 152.7
[M+HCOO]- 313.02730 177.6
[M+CH3COO]- 327.04295 172.1
[M+Na-2H]- 289.00377 161.3
[M]+ 268.02855 160.7
[M]- 268.02965 160.7
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