CID 30580

M-cresol, 4,4'-(2,2,2-trichloroethylidene)di-

Structural Information

Molecular Formula
C16H15Cl3O2
SMILES
CC1=C(C=CC(=C1)O)C(C2=C(C=C(C=C2)O)C)C(Cl)(Cl)Cl
InChI
InChI=1S/C16H15Cl3O2/c1-9-7-11(20)3-5-13(9)15(16(17,18)19)14-6-4-12(21)8-10(14)2/h3-8,15,20-21H,1-2H3
InChIKey
BKCWHEIYUYYYHA-UHFFFAOYSA-N
Compound name
3-methyl-4-[2,2,2-trichloro-1-(4-hydroxy-2-methylphenyl)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.01376 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.02104 177.4
[M+Na]+ 367.00298 192.9
[M+NH4]+ 362.04758 185.5
[M+K]+ 382.97692 184.8
[M-H]- 343.00648 180.2
[M+Na-2H]- 364.98843 184.5
[M]+ 344.01321 181.5
[M]- 344.01431 181.5
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.