CID 209683

O-cresol, 4-tert-butyl-alpha-(p-chlorophenyl)-

Structural Information

Molecular Formula
C17H19ClO
SMILES
CC(C)(C)C1=CC(=C(C=C1)O)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H19ClO/c1-17(2,3)14-6-9-16(19)13(11-14)10-12-4-7-15(18)8-5-12/h4-9,11,19H,10H2,1-3H3
InChIKey
GMXYMQVEBDBUGZ-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-[(4-chlorophenyl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

274.11246 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.11974 164.8
[M+Na]+ 297.10168 180.9
[M+NH4]+ 292.14628 174.2
[M+K]+ 313.07562 172.0
[M-H]- 273.10518 169.5
[M+Na-2H]- 295.08713 174.1
[M]+ 274.11191 169.1
[M]- 274.11301 169.1
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

patents stripe