CID 72208167

(2,2-difluorocyclobutyl)methanol

Structural Information

Molecular Formula
C5H8F2O
SMILES
C1CC(C1CO)(F)F
InChI
InChI=1S/C5H8F2O/c6-5(7)2-1-4(5)3-8/h4,8H,1-3H2
InChIKey
YTWXKQWZHLTWCX-UHFFFAOYSA-N
Compound name
(2,2-difluorocyclobutyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
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

No literature data available for this compound.

Patent stripe

patents stripe