CID 66368640

3-phenoxycyclobutan-1-one

Structural Information

Molecular Formula
C10H10O2
SMILES
C1C(CC1=O)OC2=CC=CC=C2
InChI
InChI=1S/C10H10O2/c11-8-6-10(7-8)12-9-4-2-1-3-5-9/h1-5,10H,6-7H2
InChIKey
TYUULSNADYPSMV-UHFFFAOYSA-N
Compound name
3-phenoxycyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

162.06808 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07536 126.1
[M+Na]+ 185.05730 132.8
[M-H]- 161.06080 132.9
[M+NH4]+ 180.10190 140.4
[M+K]+ 201.03124 134.3
[M+H-H2O]+ 145.06534 115.2
[M+HCOO]- 207.06628 149.4
[M+CH3COO]- 221.08193 180.3
[M+Na-2H]- 183.04275 133.2
[M]+ 162.06753 134.8
[M]- 162.06863 134.8
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