CID 600637

2-methoxy-5-(trifluoromethyl)aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

925
Patents

191.0558 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.063076 134.9
[M+Na]+ 214.045018 144.4
[M-H]- 190.048524 134.9
[M+NH4]+ 209.089623 154.4
[M+K]+ 230.018958 141.9
[M+H-H2O]+ 174.053060 127.1
[M+HCOO]- 236.054001 155.6
[M+CH3COO]- 250.069651 184.7
[M+Na-2H]- 212.030466 140.3
[M]+ 191.05525142 130.7
[M]- 191.05634858 130.7
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