CID 94653

3-(4-tert-butylphenoxy)benzaldehyde

Structural Information

Molecular Formula
C17H18O2
SMILES
CC(C)(C)C1=CC=C(C=C1)OC2=CC=CC(=C2)C=O
InChI
InChI=1S/C17H18O2/c1-17(2,3)14-7-9-15(10-8-14)19-16-6-4-5-13(11-16)12-18/h4-12H,1-3H3
InChIKey
YZIHNHLGGMSWAD-UHFFFAOYSA-N
Compound name
3-(4-tert-butylphenoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
Patents

254.13068 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13796 158.6
[M+Na]+ 277.11990 166.6
[M-H]- 253.12340 165.7
[M+NH4]+ 272.16450 176.0
[M+K]+ 293.09384 163.1
[M+H-H2O]+ 237.12794 151.6
[M+HCOO]- 299.12888 181.1
[M+CH3COO]- 313.14453 196.3
[M+Na-2H]- 275.10535 164.5
[M]+ 254.13013 161.2
[M]- 254.13123 161.2
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