CID 16769461

[4-(difluoromethoxy)-3-methoxyphenyl]methanol

Structural Information

Molecular Formula
C9H10F2O3
SMILES
COC1=C(C=CC(=C1)CO)OC(F)F
InChI
InChI=1S/C9H10F2O3/c1-13-8-4-6(5-12)2-3-7(8)14-9(10)11/h2-4,9,12H,5H2,1H3
InChIKey
NDCTWKIMSLSMIN-UHFFFAOYSA-N
Compound name
[4-(difluoromethoxy)-3-methoxyphenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

204.0598 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06708 138.5
[M+Na]+ 227.04902 147.0
[M-H]- 203.05252 138.6
[M+NH4]+ 222.09362 157.1
[M+K]+ 243.02296 145.4
[M+H-H2O]+ 187.05706 131.1
[M+HCOO]- 249.05800 159.1
[M+CH3COO]- 263.07365 183.3
[M+Na-2H]- 225.03447 142.4
[M]+ 204.05925 138.7
[M]- 204.06035 138.7
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