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

25
Patents

152.06374 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.07102 124.1
[M+Na]+ 175.05296 134.8
[M-H]- 151.05646 129.9
[M+NH4]+ 170.09756 140.2
[M+K]+ 191.02690 131.4
[M+H-H2O]+ 135.06100 117.5
[M+HCOO]- 197.06194 147.0
[M+CH3COO]- 211.07759 177.8
[M+Na-2H]- 173.03841 130.8
[M]+ 152.06319 124.5
[M]- 152.06429 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