CID 41633

55814-54-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

254.13068 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.137956 158.9
[M+Na]+ 277.119898 165.6
[M-H]- 253.123404 165.6
[M+NH4]+ 272.164503 175.8
[M+K]+ 293.093838 162.6
[M+H-H2O]+ 237.127940 151.7
[M+HCOO]- 299.128881 180.4
[M+CH3COO]- 313.144531 195.9
[M+Na-2H]- 275.105346 164.2
[M]+ 254.13013142 160.4
[M]- 254.13122858 160.4
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