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

18
Patents

254.13068 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13796 158.9
[M+Na]+ 277.11990 165.6
[M-H]- 253.12340 165.6
[M+NH4]+ 272.16450 175.8
[M+K]+ 293.09384 162.6
[M+H-H2O]+ 237.12794 151.7
[M+HCOO]- 299.12888 180.4
[M+CH3COO]- 313.14453 195.9
[M+Na-2H]- 275.10535 164.2
[M]+ 254.13013 160.4
[M]- 254.13123 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