CID 1550156

2-(3-chlorobenzylidene)-1-tetralone

Structural Information

Molecular Formula
C17H13ClO
SMILES
C1C/C(=C/C2=CC(=CC=C2)Cl)/C(=O)C3=CC=CC=C31
InChI
InChI=1S/C17H13ClO/c18-15-6-3-4-12(11-15)10-14-9-8-13-5-1-2-7-16(13)17(14)19/h1-7,10-11H,8-9H2/b14-10-
InChIKey
BVMZKGRVXZKTJZ-UVTDQMKNSA-N
Compound name
(2Z)-2-[(3-chlorophenyl)methylidene]-3,4-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

268.0655 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07278 159.2
[M+Na]+ 291.05472 168.1
[M-H]- 267.05822 166.4
[M+NH4]+ 286.09932 177.5
[M+K]+ 307.02866 160.9
[M+H-H2O]+ 251.06276 152.3
[M+HCOO]- 313.06370 175.5
[M+CH3COO]- 327.07935 171.4
[M+Na-2H]- 289.04017 164.0
[M]+ 268.06495 158.5
[M]- 268.06605 158.5
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