CID 70755

2,5-dichloro-p-xylene

Structural Information

Molecular Formula
C8H8Cl2
SMILES
CC1=CC(=C(C=C1Cl)C)Cl
InChI
InChI=1S/C8H8Cl2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3
InChIKey
UTGSRNVBAFCOEU-UHFFFAOYSA-N
Compound name
1,4-dichloro-2,5-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1667
Patents

174.0003 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.00758 129.2
[M+Na]+ 196.98952 141.0
[M-H]- 172.99302 133.0
[M+NH4]+ 192.03412 151.7
[M+K]+ 212.96346 136.0
[M+H-H2O]+ 156.99756 126.3
[M+HCOO]- 218.99850 144.4
[M+CH3COO]- 233.01415 180.5
[M+Na-2H]- 194.97497 134.9
[M]+ 173.99975 132.8
[M]- 174.00085 132.8
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