CID 80122512

3-(3,4-difluorophenyl)cyclobutan-1-ol

Structural Information

Molecular Formula
C10H10F2O
SMILES
C1C(CC1O)C2=CC(=C(C=C2)F)F
InChI
InChI=1S/C10H10F2O/c11-9-2-1-6(5-10(9)12)7-3-8(13)4-7/h1-2,5,7-8,13H,3-4H2
InChIKey
ITAQXTXNRDIQPD-UHFFFAOYSA-N
Compound name
3-(3,4-difluorophenyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.06998 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.077256 132.8
[M+Na]+ 207.059198 140.8
[M-H]- 183.062704 136.2
[M+NH4]+ 202.103803 146.1
[M+K]+ 223.033138 140.5
[M+H-H2O]+ 167.067240 120.8
[M+HCOO]- 229.068181 152.0
[M+CH3COO]- 243.083831 184.1
[M+Na-2H]- 205.044646 136.6
[M]+ 184.06943142 137.4
[M]- 184.07052858 137.4
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.