CID 22886652

1806288-38-9

Structural Information

Molecular Formula
C9H8Cl2O
SMILES
CC1=CC(=C(C(=C1)Cl)C(=O)C)Cl
InChI
InChI=1S/C9H8Cl2O/c1-5-3-7(10)9(6(2)12)8(11)4-5/h3-4H,1-2H3
InChIKey
ZXPRZVUPKWCRFS-UHFFFAOYSA-N
Compound name
1-(2,6-dichloro-4-methylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

201.99522 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.00250 135.1
[M+Na]+ 224.98444 146.5
[M-H]- 200.98794 139.0
[M+NH4]+ 220.02904 156.3
[M+K]+ 240.95838 141.6
[M+H-H2O]+ 184.99248 132.1
[M+HCOO]- 246.99342 149.5
[M+CH3COO]- 261.00907 185.4
[M+Na-2H]- 222.96989 139.1
[M]+ 201.99467 139.3
[M]- 201.99577 139.3
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