CID 165904600

[3-methylidene-1-(trifluoromethyl)cyclobutyl]methanol

Structural Information

Molecular Formula
C7H9F3O
SMILES
C=C1CC(C1)(CO)C(F)(F)F
InChI
InChI=1S/C7H9F3O/c1-5-2-6(3-5,4-11)7(8,9)10/h11H,1-4H2
InChIKey
PHUYXNURYOUDBP-UHFFFAOYSA-N
Compound name
[3-methylidene-1-(trifluoromethyl)cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.06055 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06783 132.3
[M+Na]+ 189.04977 139.9
[M-H]- 165.05327 131.4
[M+NH4]+ 184.09437 148.0
[M+K]+ 205.02371 140.3
[M+H-H2O]+ 149.05781 122.4
[M+HCOO]- 211.05875 148.4
[M+CH3COO]- 225.07440 178.7
[M+Na-2H]- 187.03522 137.4
[M]+ 166.06000 135.1
[M]- 166.06110 135.1
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.