CID 45480377

(3,3-difluorocyclobutyl)methanol

Structural Information

Molecular Formula
C5H8F2O
SMILES
C1C(CC1(F)F)CO
InChI
InChI=1S/C5H8F2O/c6-5(7)1-4(2-5)3-8/h4,8H,1-3H2
InChIKey
MDZKTVVUZBIKGI-UHFFFAOYSA-N
Compound name
(3,3-difluorocyclobutyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

830
Patents

122.05432 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.061596 120.0
[M+Na]+ 145.043538 127.6
[M-H]- 121.047044 120.4
[M+NH4]+ 140.088143 137.4
[M+K]+ 161.017478 129.2
[M+H-H2O]+ 105.051580 110.7
[M+HCOO]- 167.052521 139.2
[M+CH3COO]- 181.068171 171.4
[M+Na-2H]- 143.028986 126.2
[M]+ 122.05377142 124.6
[M]- 122.05486858 124.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe