CID 105427209

3-(difluoromethyl)cyclobutan-1-ol

Structural Information

Molecular Formula
C5H8F2O
SMILES
C1C(CC1O)C(F)F
InChI
InChI=1S/C5H8F2O/c6-5(7)3-1-4(8)2-3/h3-5,8H,1-2H2
InChIKey
JXZYTLJZQCLPOH-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

122.05432 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.061596 120.6
[M+Na]+ 145.043538 126.9
[M-H]- 121.047044 120.5
[M+NH4]+ 140.088143 135.8
[M+K]+ 161.017478 129.0
[M+H-H2O]+ 105.051580 109.7
[M+HCOO]- 167.052521 138.7
[M+CH3COO]- 181.068171 172.6
[M+Na-2H]- 143.028986 124.3
[M]+ 122.05377142 124.1
[M]- 122.05486858 124.1
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