CID 130881882

1807183-15-8

Structural Information

Molecular Formula
C8H7Cl3
SMILES
CC1=C(C=CC(=C1Cl)CCl)Cl
InChI
InChI=1S/C8H7Cl3/c1-5-7(10)3-2-6(4-9)8(5)11/h2-3H,4H2,1H3
InChIKey
JRQXYZBGMARLSC-UHFFFAOYSA-N
Compound name
1,3-dichloro-4-(chloromethyl)-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

207.96133 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.96861 136.3
[M+Na]+ 230.95055 147.8
[M-H]- 206.95405 138.6
[M+NH4]+ 225.99515 157.1
[M+K]+ 246.92449 141.8
[M+H-H2O]+ 190.95859 133.8
[M+HCOO]- 252.95953 145.8
[M+CH3COO]- 266.97518 186.1
[M+Na-2H]- 228.93600 140.6
[M]+ 207.96078 139.7
[M]- 207.96188 139.7
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.