CID 5388549

Trans-2-chlorochalcone

Structural Information

Molecular Formula
C15H11ClO
SMILES
C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2Cl
InChI
InChI=1S/C15H11ClO/c16-14-9-5-4-6-12(14)10-11-15(17)13-7-2-1-3-8-13/h1-11H/b11-10+
InChIKey
IGSYOTSSTZUGIA-ZHACJKMWSA-N
Compound name
(E)-3-(2-chlorophenyl)-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

21
Patents

242.04984 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.05712 152.1
[M+Na]+ 265.03906 160.5
[M-H]- 241.04256 158.6
[M+NH4]+ 260.08366 170.2
[M+K]+ 281.01300 154.2
[M+H-H2O]+ 225.04710 145.7
[M+HCOO]- 287.04804 171.2
[M+CH3COO]- 301.06369 190.5
[M+Na-2H]- 263.02451 157.2
[M]+ 242.04929 153.5
[M]- 242.05039 153.5
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