CID 239143

1,4-dichloro-2,3,5,6-tetramethylbenzene

Structural Information

Molecular Formula
C10H12Cl2
SMILES
CC1=C(C(=C(C(=C1Cl)C)C)Cl)C
InChI
InChI=1S/C10H12Cl2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3
InChIKey
PTIQIITULDNGAF-UHFFFAOYSA-N
Compound name
1,4-dichloro-2,3,5,6-tetramethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

423
Patents

202.0316 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.03888 136.8
[M+Na]+ 225.02082 149.6
[M-H]- 201.02432 141.1
[M+NH4]+ 220.06542 158.8
[M+K]+ 240.99476 144.2
[M+H-H2O]+ 185.02886 134.1
[M+HCOO]- 247.02980 151.4
[M+CH3COO]- 261.04545 188.8
[M+Na-2H]- 223.00627 140.1
[M]+ 202.03105 141.9
[M]- 202.03215 141.9
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