CID 3859938

2-chloro-1,2-di-p-tolyl-ethanone

Structural Information

Molecular Formula
C16H15ClO
SMILES
CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)Cl
InChI
InChI=1S/C16H15ClO/c1-11-3-7-13(8-4-11)15(17)16(18)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3
InChIKey
NNLSZLIKQWMSNT-UHFFFAOYSA-N
Compound name
2-chloro-1,2-bis(4-methylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

258.08115 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.08843 156.5
[M+Na]+ 281.07037 164.7
[M-H]- 257.07387 163.2
[M+NH4]+ 276.11497 174.2
[M+K]+ 297.04431 159.4
[M+H-H2O]+ 241.07841 150.2
[M+HCOO]- 303.07935 174.1
[M+CH3COO]- 317.09500 196.9
[M+Na-2H]- 279.05582 159.3
[M]+ 258.08060 158.9
[M]- 258.08170 158.9
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