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]+ 167.06783 130.1
[M+Na]+ 189.04977 138.3
[M-H]- 165.05327 128.6
[M+NH4]+ 184.09437 153.6
[M+K]+ 205.02371 136.2
[M+H-H2O]+ 149.05781 124.0
[M+HCOO]- 211.05875 148.6
[M+CH3COO]- 225.07440 172.7
[M+Na-2H]- 187.03522 135.8
[M]+ 166.06000 124.2
[M]- 166.06110 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.