CID 524347

Benzene, 3-chloro-1,2,4-trimethyl

Structural Information

Molecular Formula
C9H11Cl
SMILES
CC1=C(C(=C(C=C1)C)Cl)C
InChI
InChI=1S/C9H11Cl/c1-6-4-5-7(2)9(10)8(6)3/h4-5H,1-3H3
InChIKey
AXJGVZMSADXTDE-UHFFFAOYSA-N
Compound name
2-chloro-1,3,4-trimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

154.05493 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.062206 127.3
[M+Na]+ 177.044148 138.5
[M-H]- 153.047654 131.9
[M+NH4]+ 172.088753 150.4
[M+K]+ 193.018088 134.7
[M+H-H2O]+ 137.052190 123.6
[M+HCOO]- 199.053131 147.4
[M+CH3COO]- 213.068781 178.7
[M+Na-2H]- 175.029596 133.3
[M]+ 154.05438142 130.4
[M]- 154.05547858 130.4
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