CID 21549151

4-(2,2-difluorocyclopropyl)phenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

170.05432 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.061596 126.4
[M+Na]+ 193.043538 137.8
[M-H]- 169.047044 131.2
[M+NH4]+ 188.088143 143.7
[M+K]+ 209.017478 134.8
[M+H-H2O]+ 153.051580 119.8
[M+HCOO]- 215.052521 147.9
[M+CH3COO]- 229.068171 180.0
[M+Na-2H]- 191.028986 133.6
[M]+ 170.05377142 126.1
[M]- 170.05486858 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