CID 155821204

4,4-difluorocycloheptan-1-ol

Structural Information

Molecular Formula
C7H12F2O
SMILES
C1CC(CCC(C1)(F)F)O
InChI
InChI=1S/C7H12F2O/c8-7(9)4-1-2-6(10)3-5-7/h6,10H,1-5H2
InChIKey
OJSZNSHVQJGVGJ-UHFFFAOYSA-N
Compound name
4,4-difluorocycloheptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.08562 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.09290 120.8
[M+Na]+ 173.07484 125.2
[M-H]- 149.07834 121.4
[M+NH4]+ 168.11944 141.6
[M+K]+ 189.04878 127.6
[M+H-H2O]+ 133.08288 115.6
[M+HCOO]- 195.08382 137.6
[M+CH3COO]- 209.09947 174.3
[M+Na-2H]- 171.06029 125.9
[M]+ 150.08507 110.7
[M]- 150.08617 110.7
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.