CID 212008

23802-14-4

Structural Information

Molecular Formula
C17H19ClO
SMILES
CCC(C)C1=CC(=C(C=C1)O)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H19ClO/c1-3-12(2)14-6-9-17(19)15(11-14)10-13-4-7-16(18)8-5-13/h4-9,11-12,19H,3,10H2,1-2H3
InChIKey
VVVGSXSXEXLTAO-UHFFFAOYSA-N
Compound name
4-butan-2-yl-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 162.6
[M+Na]+ 297.10168 170.9
[M-H]- 273.10518 168.0
[M+NH4]+ 292.14628 179.5
[M+K]+ 313.07562 164.6
[M+H-H2O]+ 257.10972 156.4
[M+HCOO]- 319.11066 179.2
[M+CH3COO]- 333.12631 198.5
[M+Na-2H]- 295.08713 164.8
[M]+ 274.11191 165.1
[M]- 274.11301 165.1
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