CID 90017183

1,1-difluorospiro[2.5]octan-6-one

Structural Information

Molecular Formula
C8H10F2O
SMILES
C1CC2(CCC1=O)CC2(F)F
InChI
InChI=1S/C8H10F2O/c9-8(10)5-7(8)3-1-6(11)2-4-7/h1-5H2
InChIKey
RXGUBKPAVIABEV-UHFFFAOYSA-N
Compound name
2,2-difluorospiro[2.5]octan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

160.06998 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07726 130.4
[M+Na]+ 183.05920 140.4
[M-H]- 159.06270 134.9
[M+NH4]+ 178.10380 150.4
[M+K]+ 199.03314 139.3
[M+H-H2O]+ 143.06724 124.6
[M+HCOO]- 205.06818 148.8
[M+CH3COO]- 219.08383 178.9
[M+Na-2H]- 181.04465 137.3
[M]+ 160.06943 127.4
[M]- 160.07053 127.4
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