CID 7017450

4-(difluoromethoxy)-3-ethoxyaniline

Structural Information

Molecular Formula
C9H11F2NO2
SMILES
CCOC1=C(C=CC(=C1)N)OC(F)F
InChI
InChI=1S/C9H11F2NO2/c1-2-13-8-5-6(12)3-4-7(8)14-9(10)11/h3-5,9H,2,12H2,1H3
InChIKey
VHQPLOXJAZUAOY-UHFFFAOYSA-N
Compound name
4-(difluoromethoxy)-3-ethoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

203.07579 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.08307 142.3
[M+Na]+ 226.06501 151.9
[M+NH4]+ 221.10961 148.7
[M+K]+ 242.03895 146.9
[M-H]- 202.06851 141.4
[M+Na-2H]- 224.05046 146.8
[M]+ 203.07524 143.1
[M]- 203.07634 143.1
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