CID 7254

2,4-dichlorotoluene

Structural Information

Molecular Formula
C7H6Cl2
SMILES
CC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C7H6Cl2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
InChIKey
FUNUTBJJKQIVSY-UHFFFAOYSA-N
Compound name
2,4-dichloro-1-methylbenzene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

16
References

10417
Patents

159.98465 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.99193 125.8
[M+Na]+ 182.97387 142.2
[M+NH4]+ 178.01847 136.6
[M+K]+ 198.94781 133.5
[M-H]- 158.97737 129.3
[M+Na-2H]- 180.95932 134.9
[M]+ 159.98410 129.9
[M]- 159.98520 129.9
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