CID 91811063

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

Structural Information

Molecular Formula
C8H12F2O
SMILES
C1CC2(CCC1O)CC2(F)F
InChI
InChI=1S/C8H12F2O/c9-8(10)5-7(8)3-1-6(11)2-4-7/h6,11H,1-5H2
InChIKey
PJAVWOUBJZRJEW-UHFFFAOYSA-N
Compound name
2,2-difluorospiro[2.5]octan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

162.08562 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09290 130.6
[M+Na]+ 185.07484 139.9
[M-H]- 161.07834 133.7
[M+NH4]+ 180.11944 150.0
[M+K]+ 201.04878 138.5
[M+H-H2O]+ 145.08288 125.1
[M+HCOO]- 207.08382 147.4
[M+CH3COO]- 221.09947 177.2
[M+Na-2H]- 183.06029 137.2
[M]+ 162.08507 126.6
[M]- 162.08617 126.6
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