CID 74954

3,4-dichlorocumene

Structural Information

Molecular Formula
C9H10Cl2
SMILES
CC(C)C1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C9H10Cl2/c1-6(2)7-3-4-8(10)9(11)5-7/h3-6H,1-2H3
InChIKey
DQZUIRYHGMGWFY-UHFFFAOYSA-N
Compound name
1,2-dichloro-4-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

738
Patents

188.01596 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.023236 134.2
[M+Na]+ 211.005178 144.4
[M-H]- 187.008684 137.6
[M+NH4]+ 206.049783 155.8
[M+K]+ 226.979118 139.5
[M+H-H2O]+ 171.013220 130.9
[M+HCOO]- 233.014161 148.1
[M+CH3COO]- 247.029811 183.2
[M+Na-2H]- 208.990626 138.8
[M]+ 188.01541142 137.3
[M]- 188.01650858 137.3
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