CID 138111507

(3-(difluoromethoxy)cyclobutyl)methanol

Structural Information

Molecular Formula
C6H10F2O2
SMILES
C1C(CC1OC(F)F)CO
InChI
InChI=1S/C6H10F2O2/c7-6(8)10-5-1-4(2-5)3-9/h4-6,9H,1-3H2
InChIKey
JDTSRIUJXKTTEU-UHFFFAOYSA-N
Compound name
[3-(difluoromethoxy)cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.06488 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.07216 127.8
[M+Na]+ 175.05410 133.5
[M-H]- 151.05760 127.5
[M+NH4]+ 170.09870 141.8
[M+K]+ 191.02804 135.9
[M+H-H2O]+ 135.06214 116.5
[M+HCOO]- 197.06308 145.8
[M+CH3COO]- 211.07873 177.5
[M+Na-2H]- 173.03955 131.0
[M]+ 152.06433 133.2
[M]- 152.06543 133.2
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

No patent data available for this compound.