CID 80611609

1523172-79-3

Structural Information

Molecular Formula
C5H8F2O
SMILES
C1CC(C1)(C(F)F)O
InChI
InChI=1S/C5H8F2O/c6-4(7)5(8)2-1-3-5/h4,8H,1-3H2
InChIKey
YGBWDIVNTMHPRE-UHFFFAOYSA-N
Compound name
1-(difluoromethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

122.05432 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.06160 122.4
[M+Na]+ 145.04354 128.7
[M-H]- 121.04704 122.5
[M+NH4]+ 140.08814 139.4
[M+K]+ 161.01748 130.8
[M+H-H2O]+ 105.05158 112.7
[M+HCOO]- 167.05252 140.5
[M+CH3COO]- 181.06817 171.1
[M+Na-2H]- 143.02899 127.8
[M]+ 122.05377 125.9
[M]- 122.05487 125.9
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

patents stripe