CID 2392234

2-(2-methoxy-ethoxy)-5-trifluoromethyl-phenylamine

Structural Information

Molecular Formula
C10H12F3NO2
SMILES
COCCOC1=C(C=C(C=C1)C(F)(F)F)N
InChI
InChI=1S/C10H12F3NO2/c1-15-4-5-16-9-3-2-7(6-8(9)14)10(11,12)13/h2-3,6H,4-5,14H2,1H3
InChIKey
VGEAZFFURBQABD-UHFFFAOYSA-N
Compound name
2-(2-methoxyethoxy)-5-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

235.08202 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.08930 147.5
[M+Na]+ 258.07124 156.0
[M-H]- 234.07474 147.0
[M+NH4]+ 253.11584 165.1
[M+K]+ 274.04518 153.6
[M+H-H2O]+ 218.07928 139.0
[M+HCOO]- 280.08022 167.7
[M+CH3COO]- 294.09587 192.8
[M+Na-2H]- 256.05669 151.8
[M]+ 235.08147 145.4
[M]- 235.08257 145.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe