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 128.3
[M+Na]+ 211.03412 140.4
[M-H]- 187.03762 132.1
[M+NH4]+ 206.07872 146.6
[M+K]+ 227.00806 137.9
[M+H-H2O]+ 171.04216 121.7
[M+HCOO]- 233.04310 148.3
[M+CH3COO]- 247.05875 182.5
[M+Na-2H]- 209.01957 135.9
[M]+ 188.04435 127.3
[M]- 188.04545 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.