CID 91141739

3-cyclopropyl-2-fluorophenol

Structural Information

Molecular Formula
C9H9FO
SMILES
C1CC1C2=C(C(=CC=C2)O)F
InChI
InChI=1S/C9H9FO/c10-9-7(6-4-5-6)2-1-3-8(9)11/h1-3,6,11H,4-5H2
InChIKey
PLLVKKPNIKTJOZ-UHFFFAOYSA-N
Compound name
3-cyclopropyl-2-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

152.06374 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.071016 124.1
[M+Na]+ 175.052958 134.8
[M-H]- 151.056464 129.9
[M+NH4]+ 170.097563 140.2
[M+K]+ 191.026898 131.4
[M+H-H2O]+ 135.061000 117.5
[M+HCOO]- 197.061941 147.0
[M+CH3COO]- 211.077591 177.8
[M+Na-2H]- 173.038406 130.8
[M]+ 152.06319142 124.5
[M]- 152.06428858 124.5
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

patents stripe