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

6
Patents

122.05432 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.061596 122.4
[M+Na]+ 145.043538 128.7
[M-H]- 121.047044 122.5
[M+NH4]+ 140.088143 139.4
[M+K]+ 161.017478 130.8
[M+H-H2O]+ 105.051580 112.7
[M+HCOO]- 167.052521 140.5
[M+CH3COO]- 181.068171 171.1
[M+Na-2H]- 143.028986 127.8
[M]+ 122.05377142 125.9
[M]- 122.05486858 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