CID 155822837

[1-(trifluoromethyl)cyclopent-3-en-1-yl]methanol

Structural Information

Molecular Formula
C7H9F3O
SMILES
C1C=CCC1(CO)C(F)(F)F
InChI
InChI=1S/C7H9F3O/c8-7(9,10)6(5-11)3-1-2-4-6/h1-2,11H,3-5H2
InChIKey
PNBZUHPNESDQAE-UHFFFAOYSA-N
Compound name
[1-(trifluoromethyl)cyclopent-3-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.06055 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.067826 130.1
[M+Na]+ 189.049768 138.3
[M-H]- 165.053274 128.6
[M+NH4]+ 184.094373 153.6
[M+K]+ 205.023708 136.2
[M+H-H2O]+ 149.057810 124.0
[M+HCOO]- 211.058751 148.6
[M+CH3COO]- 225.074401 172.7
[M+Na-2H]- 187.035216 135.8
[M]+ 166.06000142 124.2
[M]- 166.06109858 124.2
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.