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

834
Patents

122.05432 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.06160 120.0
[M+Na]+ 145.04354 127.6
[M-H]- 121.04704 120.4
[M+NH4]+ 140.08814 137.4
[M+K]+ 161.01748 129.2
[M+H-H2O]+ 105.05158 110.7
[M+HCOO]- 167.05252 139.2
[M+CH3COO]- 181.06817 171.4
[M+Na-2H]- 143.02899 126.2
[M]+ 122.05377 124.6
[M]- 122.05487 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