CID 118268715

1-(difluoromethoxy)-3-methoxy-5-methylbenzene

Structural Information

Molecular Formula
C9H10F2O2
SMILES
CC1=CC(=CC(=C1)OC(F)F)OC
InChI
InChI=1S/C9H10F2O2/c1-6-3-7(12-2)5-8(4-6)13-9(10)11/h3-5,9H,1-2H3
InChIKey
OEVRQURCXFKUSJ-UHFFFAOYSA-N
Compound name
1-(difluoromethoxy)-3-methoxy-5-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

188.06488 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.072156 134.7
[M+Na]+ 211.054098 143.8
[M-H]- 187.057604 136.3
[M+NH4]+ 206.098703 154.9
[M+K]+ 227.028038 142.6
[M+H-H2O]+ 171.062140 127.5
[M+HCOO]- 233.063081 156.7
[M+CH3COO]- 247.078731 184.0
[M+Na-2H]- 209.039546 139.2
[M]+ 188.06433142 135.4
[M]- 188.06542858 135.4
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