CID 51745

2,5-dichloro-alpha-(2,4-xylyl)cresol

Structural Information

Molecular Formula
C15H14Cl2O
SMILES
CC1=CC(=C(C=C1)CC2=C(C(=CC(=C2)Cl)O)Cl)C
InChI
InChI=1S/C15H14Cl2O/c1-9-3-4-11(10(2)5-9)6-12-7-13(16)8-14(18)15(12)17/h3-5,7-8,18H,6H2,1-2H3
InChIKey
SQQCOFIXMAUOJW-UHFFFAOYSA-N
Compound name
2,5-dichloro-3-[(2,4-dimethylphenyl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.04218 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.04946 158.5
[M+Na]+ 303.03140 170.1
[M-H]- 279.03490 164.1
[M+NH4]+ 298.07600 176.3
[M+K]+ 319.00534 162.8
[M+H-H2O]+ 263.03944 153.8
[M+HCOO]- 325.04038 171.6
[M+CH3COO]- 339.05603 198.5
[M+Na-2H]- 301.01685 160.9
[M]+ 280.04163 163.0
[M]- 280.04273 163.0
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.