CID 21117821

Schembl3301728

Structural Information

Molecular Formula
C13H10Cl2
SMILES
C1=CC=C(C=C1)CC2=C(C(=CC=C2)Cl)Cl
InChI
InChI=1S/C13H10Cl2/c14-12-8-4-7-11(13(12)15)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKey
MRAYEYNEXUTTBB-UHFFFAOYSA-N
Compound name
1-benzyl-2,3-dichlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

236.01596 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.023236 147.4
[M+Na]+ 259.005178 157.6
[M-H]- 235.008684 153.4
[M+NH4]+ 254.049783 166.6
[M+K]+ 274.979118 150.7
[M+H-H2O]+ 219.013220 142.0
[M+HCOO]- 281.014161 162.3
[M+CH3COO]- 295.029811 160.6
[M+Na-2H]- 256.990626 153.3
[M]+ 236.01541142 150.2
[M]- 236.01650858 150.2
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

No patent data available for this compound.