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

11
Patents

204.0598 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.067076 138.5
[M+Na]+ 227.049018 147.0
[M-H]- 203.052524 138.6
[M+NH4]+ 222.093623 157.1
[M+K]+ 243.022958 145.4
[M+H-H2O]+ 187.057060 131.1
[M+HCOO]- 249.058001 159.1
[M+CH3COO]- 263.073651 183.3
[M+Na-2H]- 225.034466 142.4
[M]+ 204.05925142 138.7
[M]- 204.06034858 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