CID 8621

2,4-dichloro-3,5-dimethylphenol

Structural Information

Molecular Formula
C8H8Cl2O
SMILES
CC1=CC(=C(C(=C1Cl)C)Cl)O
InChI
InChI=1S/C8H8Cl2O/c1-4-3-6(11)8(10)5(2)7(4)9/h3,11H,1-2H3
InChIKey
IYOLBFFHPZOQGW-UHFFFAOYSA-N
Compound name
2,4-dichloro-3,5-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2
References

2597
Patents

189.99522 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00250 132.1
[M+Na]+ 212.98444 144.3
[M-H]- 188.98794 135.0
[M+NH4]+ 208.02904 153.5
[M+K]+ 228.95838 139.0
[M+H-H2O]+ 172.99248 129.7
[M+HCOO]- 234.99342 146.1
[M+CH3COO]- 249.00907 181.0
[M+Na-2H]- 210.96989 136.6
[M]+ 189.99467 135.7
[M]- 189.99577 135.7
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