CID 22601721

53903-49-4

Structural Information

Molecular Formula
C8H8F3NO
SMILES
COC1=CC(=C(C=C1)N)C(F)(F)F
InChI
InChI=1S/C8H8F3NO/c1-13-5-2-3-7(12)6(4-5)8(9,10)11/h2-4H,12H2,1H3
InChIKey
BTRQZDUCUGJMPS-UHFFFAOYSA-N
Compound name
4-methoxy-2-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

191.0558 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06308 141.0
[M+Na]+ 214.04502 150.0
[M+NH4]+ 209.08962 146.9
[M+K]+ 230.01896 145.2
[M-H]- 190.04852 138.6
[M+Na-2H]- 212.03047 145.3
[M]+ 191.05525 141.3
[M]- 191.05635 141.3
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