CID 129915417

2-(difluoromethoxy)-4-fluorophenol

Structural Information

Molecular Formula
C7H5F3O2
SMILES
C1=CC(=C(C=C1F)OC(F)F)O
InChI
InChI=1S/C7H5F3O2/c8-4-1-2-5(11)6(3-4)12-7(9)10/h1-3,7,11H
InChIKey
WRSUDQTWRZBKRS-UHFFFAOYSA-N
Compound name
2-(difluoromethoxy)-4-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

178.02417 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.031446 128.6
[M+Na]+ 201.013388 138.1
[M-H]- 177.016894 127.7
[M+NH4]+ 196.057993 148.3
[M+K]+ 216.987328 136.0
[M+H-H2O]+ 161.021430 121.0
[M+HCOO]- 223.022371 148.6
[M+CH3COO]- 237.038021 178.1
[M+Na-2H]- 198.998836 133.0
[M]+ 178.02362142 125.4
[M]- 178.02471858 125.4
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