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

26
Patents

188.06488 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.07216 134.7
[M+Na]+ 211.05410 143.8
[M-H]- 187.05760 136.3
[M+NH4]+ 206.09870 154.9
[M+K]+ 227.02804 142.6
[M+H-H2O]+ 171.06214 127.5
[M+HCOO]- 233.06308 156.7
[M+CH3COO]- 247.07873 184.0
[M+Na-2H]- 209.03955 139.2
[M]+ 188.06433 135.4
[M]- 188.06543 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