CID 24704130

4-methyl-2-(2,2,2-trifluoroethoxy)aniline

Structural Information

Molecular Formula
C9H10F3NO
SMILES
CC1=CC(=C(C=C1)N)OCC(F)(F)F
InChI
InChI=1S/C9H10F3NO/c1-6-2-3-7(13)8(4-6)14-5-9(10,11)12/h2-4H,5,13H2,1H3
InChIKey
YSVIJBXNRJVSBO-UHFFFAOYSA-N
Compound name
4-methyl-2-(2,2,2-trifluoroethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

205.07144 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.078716 139.6
[M+Na]+ 228.060658 148.7
[M-H]- 204.064164 139.4
[M+NH4]+ 223.105263 158.6
[M+K]+ 244.034598 146.0
[M+H-H2O]+ 188.068700 131.6
[M+HCOO]- 250.069641 160.0
[M+CH3COO]- 264.085291 187.8
[M+Na-2H]- 226.046106 144.5
[M]+ 205.07089142 135.8
[M]- 205.07198858 135.8
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

patents stripe