CID 155943630

2613387-59-8

Structural Information

Molecular Formula
C10H10F2O2
SMILES
C1C(CC1(C2=C(C=CC=C2F)F)O)O
InChI
InChI=1S/C10H10F2O2/c11-7-2-1-3-8(12)9(7)10(14)4-6(13)5-10/h1-3,6,13-14H,4-5H2
InChIKey
SEDBNSHBEDDBFP-UHFFFAOYSA-N
Compound name
1-(2,6-difluorophenyl)cyclobutane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.06488 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.07216 138.9
[M+Na]+ 223.05410 147.2
[M-H]- 199.05760 141.3
[M+NH4]+ 218.09870 152.7
[M+K]+ 239.02804 146.5
[M+H-H2O]+ 183.06214 127.8
[M+HCOO]- 245.06308 156.7
[M+CH3COO]- 259.07873 183.2
[M+Na-2H]- 221.03955 143.0
[M]+ 200.06433 143.4
[M]- 200.06543 143.4
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.