CID 2305460

Nsc636729

Structural Information

Molecular Formula
C16H11ClO
SMILES
C\1C2=CC=CC=C2C(=O)/C1=C/C3=CC=CC=C3Cl
InChI
InChI=1S/C16H11ClO/c17-15-8-4-2-6-12(15)10-13-9-11-5-1-3-7-14(11)16(13)18/h1-8,10H,9H2/b13-10+
InChIKey
IDQSBDUGYFUQFD-JLHYYAGUSA-N
Compound name
(2E)-2-[(2-chlorophenyl)methylidene]-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

254.04984 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.05712 156.7
[M+Na]+ 277.03906 167.2
[M-H]- 253.04256 164.6
[M+NH4]+ 272.08366 177.7
[M+K]+ 293.01300 159.9
[M+H-H2O]+ 237.04710 150.8
[M+HCOO]- 299.04804 175.6
[M+CH3COO]- 313.06369 170.1
[M+Na-2H]- 275.02451 160.2
[M]+ 254.04929 157.9
[M]- 254.05039 157.9
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

No patent data available for this compound.