CID 605671

3-methoxy-5-(trifluoromethyl)aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

866
Patents

191.0558 Da
Monoisotopic Mass

2.1
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

literature stripe

Patent stripe

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