CID 23013917

2-(2,2-difluorocyclopropyl)phenol

Structural Information

Molecular Formula
C9H8F2O
SMILES
C1C(C1(F)F)C2=CC=CC=C2O
InChI
InChI=1S/C9H8F2O/c10-9(11)5-7(9)6-3-1-2-4-8(6)12/h1-4,7,12H,5H2
InChIKey
GEOMPSDULYKBIF-UHFFFAOYSA-N
Compound name
2-(2,2-difluorocyclopropyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

170.05432 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06160 126.4
[M+Na]+ 193.04354 137.8
[M-H]- 169.04704 131.2
[M+NH4]+ 188.08814 143.7
[M+K]+ 209.01748 134.8
[M+H-H2O]+ 153.05158 119.8
[M+HCOO]- 215.05252 147.9
[M+CH3COO]- 229.06817 180.0
[M+Na-2H]- 191.02899 133.6
[M]+ 170.05377 126.1
[M]- 170.05487 126.1
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

patents stripe