CID 16776668

2-(difluoromethoxy)-5-methoxyaniline

Structural Information

Molecular Formula
C8H9F2NO2
SMILES
COC1=CC(=C(C=C1)OC(F)F)N
InChI
InChI=1S/C8H9F2NO2/c1-12-5-2-3-7(6(11)4-5)13-8(9)10/h2-4,8H,11H2,1H3
InChIKey
GJTGLFLORLUWRM-UHFFFAOYSA-N
Compound name
2-(difluoromethoxy)-5-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.06013 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06741 135.2
[M+Na]+ 212.04935 143.8
[M-H]- 188.05285 136.3
[M+NH4]+ 207.09395 154.6
[M+K]+ 228.02329 142.3
[M+H-H2O]+ 172.05739 127.6
[M+HCOO]- 234.05833 157.8
[M+CH3COO]- 248.07398 185.1
[M+Na-2H]- 210.03480 139.3
[M]+ 189.05958 133.6
[M]- 189.06068 133.6
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