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]+ 189.052176 128.3
[M+Na]+ 211.034118 140.4
[M-H]- 187.037624 132.1
[M+NH4]+ 206.078723 146.6
[M+K]+ 227.008058 137.9
[M+H-H2O]+ 171.042160 121.7
[M+HCOO]- 233.043101 148.3
[M+CH3COO]- 247.058751 182.5
[M+Na-2H]- 209.019566 135.9
[M]+ 188.04435142 127.3
[M]- 188.04544858 127.3
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.