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

47
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

No literature data available for this compound.

Patent stripe

patents stripe