CID 1553776

59082-24-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

268.0655 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.072776 159.2
[M+Na]+ 291.054718 168.1
[M-H]- 267.058224 166.4
[M+NH4]+ 286.099323 177.5
[M+K]+ 307.028658 160.9
[M+H-H2O]+ 251.062760 152.3
[M+HCOO]- 313.063701 175.5
[M+CH3COO]- 327.079351 171.4
[M+Na-2H]- 289.040166 164.0
[M]+ 268.06495142 158.5
[M]- 268.06604858 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

literature stripe

Patent stripe

patents stripe