CID 155819951

3-(1,2,2-trifluorocyclopropyl)phenol

Structural Information

Molecular Formula
C9H7F3O
SMILES
C1C(C1(F)F)(C2=CC(=CC=C2)O)F
InChI
InChI=1S/C9H7F3O/c10-8(5-9(8,11)12)6-2-1-3-7(13)4-6/h1-4,13H,5H2
InChIKey
BUIJRGVHZUYOKA-UHFFFAOYSA-N
Compound name
3-(1,2,2-trifluorocyclopropyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.0449 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.05218 145.0
[M+Na]+ 211.03412 155.7
[M+NH4]+ 206.07872 154.3
[M+K]+ 227.00806 148.5
[M-H]- 187.03762 150.2
[M+Na-2H]- 209.01957 154.7
[M]+ 188.04435 149.1
[M]- 188.04545 149.1
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.