CID 155943659

6,6-difluoro-3-phenylspiro[3.3]heptan-1-one

Structural Information

Molecular Formula
C13H12F2O
SMILES
C1C(C2(C1=O)CC(C2)(F)F)C3=CC=CC=C3
InChI
InChI=1S/C13H12F2O/c14-13(15)7-12(8-13)10(6-11(12)16)9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKey
QDPNJNTYHMHKJC-UHFFFAOYSA-N
Compound name
6,6-difluoro-1-phenylspiro[3.3]heptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.08562 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09290 139.8
[M+Na]+ 245.07484 147.3
[M-H]- 221.07834 146.5
[M+NH4]+ 240.11944 149.3
[M+K]+ 261.04878 148.9
[M+H-H2O]+ 205.08288 125.8
[M+HCOO]- 267.08382 157.1
[M+CH3COO]- 281.09947 199.8
[M+Na-2H]- 243.06029 145.1
[M]+ 222.08507 152.9
[M]- 222.08617 152.9
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

No patent data available for this compound.