CID 16774234

[4-(difluoromethoxy)-3-ethoxyphenyl]methanamine

Structural Information

Molecular Formula
C10H13F2NO2
SMILES
CCOC1=C(C=CC(=C1)CN)OC(F)F
InChI
InChI=1S/C10H13F2NO2/c1-2-14-9-5-7(6-13)3-4-8(9)15-10(11)12/h3-5,10H,2,6,13H2,1H3
InChIKey
GNKNYDRCFXMNBL-UHFFFAOYSA-N
Compound name
[4-(difluoromethoxy)-3-ethoxyphenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.09143 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09871 144.6
[M+Na]+ 240.08065 152.3
[M-H]- 216.08415 145.3
[M+NH4]+ 235.12525 162.9
[M+K]+ 256.05459 150.4
[M+H-H2O]+ 200.08869 136.6
[M+HCOO]- 262.08963 166.6
[M+CH3COO]- 276.10528 191.2
[M+Na-2H]- 238.06610 147.6
[M]+ 217.09088 143.8
[M]- 217.09198 143.8
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

No patent data available for this compound.