CID 67865

2-nitro-4-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C7H5F3N2O2
SMILES
C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])N
InChI
InChI=1S/C7H5F3N2O2/c8-7(9,10)4-1-2-5(11)6(3-4)12(13)14/h1-3H,11H2
InChIKey
ATXBGHLILIABGX-UHFFFAOYSA-N
Compound name
2-nitro-4-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

983
Patents

206.03032 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03760 132.7
[M+Na]+ 229.01954 142.0
[M+NH4]+ 224.06414 138.2
[M+K]+ 244.99348 140.6
[M-H]- 205.02304 131.2
[M+Na-2H]- 227.00499 137.2
[M]+ 206.02977 133.1
[M]- 206.03087 133.1
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