CID 105427876

1-(3,3-difluorocyclobutyl)ethan-1-ol

Structural Information

Molecular Formula
C6H10F2O
SMILES
CC(C1CC(C1)(F)F)O
InChI
InChI=1S/C6H10F2O/c1-4(9)5-2-6(7,8)3-5/h4-5,9H,2-3H2,1H3
InChIKey
MOJVSYLIEDZMHB-UHFFFAOYSA-N
Compound name
1-(3,3-difluorocyclobutyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

136.06998 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07726 126.6
[M+Na]+ 159.05920 133.4
[M-H]- 135.06270 126.8
[M+NH4]+ 154.10380 143.3
[M+K]+ 175.03314 135.2
[M+H-H2O]+ 119.06724 117.0
[M+HCOO]- 181.06818 144.3
[M+CH3COO]- 195.08383 175.1
[M+Na-2H]- 157.04465 130.7
[M]+ 136.06943 130.8
[M]- 136.07053 130.8
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