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

29
Patents

122.05432 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.06160 120.6
[M+Na]+ 145.04354 126.9
[M-H]- 121.04704 120.5
[M+NH4]+ 140.08814 135.8
[M+K]+ 161.01748 129.0
[M+H-H2O]+ 105.05158 109.7
[M+HCOO]- 167.05252 138.7
[M+CH3COO]- 181.06817 172.6
[M+Na-2H]- 143.02899 124.3
[M]+ 122.05377 124.1
[M]- 122.05487 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