CID 12403599

3,3-diphenylcyclobutan-1-one

Structural Information

Molecular Formula
C16H14O
SMILES
C1C(=O)CC1(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H14O/c17-15-11-16(12-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
GUAXWQNIMQCVIV-UHFFFAOYSA-N
Compound name
3,3-diphenylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

222.10446 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11174 146.0
[M+Na]+ 245.09368 152.9
[M-H]- 221.09718 155.7
[M+NH4]+ 240.13828 159.5
[M+K]+ 261.06762 151.7
[M+H-H2O]+ 205.10172 134.0
[M+HCOO]- 267.10266 168.6
[M+CH3COO]- 281.11831 191.4
[M+Na-2H]- 243.07913 153.1
[M]+ 222.10391 153.0
[M]- 222.10501 153.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe