CID 16784106

4-methoxy-3-(2,2,2-trifluoroethoxy)aniline

Structural Information

Molecular Formula
C9H10F3NO2
SMILES
COC1=C(C=C(C=C1)N)OCC(F)(F)F
InChI
InChI=1S/C9H10F3NO2/c1-14-7-3-2-6(13)4-8(7)15-5-9(10,11)12/h2-4H,5,13H2,1H3
InChIKey
VBQUAQKNJDNXLR-UHFFFAOYSA-N
Compound name
4-methoxy-3-(2,2,2-trifluoroethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

221.06636 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07364 142.7
[M+Na]+ 244.05558 151.7
[M-H]- 220.05908 142.5
[M+NH4]+ 239.10018 161.0
[M+K]+ 260.02952 149.5
[M+H-H2O]+ 204.06362 134.5
[M+HCOO]- 266.06456 163.3
[M+CH3COO]- 280.08021 189.8
[M+Na-2H]- 242.04103 147.6
[M]+ 221.06581 140.3
[M]- 221.06691 140.3
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