CID 2775772

2-nitro-4-(trifluoromethoxy)aniline

Structural Information

Molecular Formula
C7H5F3N2O3
SMILES
C1=CC(=C(C=C1OC(F)(F)F)[N+](=O)[O-])N
InChI
InChI=1S/C7H5F3N2O3/c8-7(9,10)15-4-1-2-5(11)6(3-4)12(13)14/h1-3H,11H2
InChIKey
YCGFVAPIBALHRT-UHFFFAOYSA-N
Compound name
2-nitro-4-(trifluoromethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

508
Patents

222.02522 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.03250 135.4
[M+Na]+ 245.01444 144.2
[M+NH4]+ 240.05904 140.4
[M+K]+ 260.98838 143.4
[M-H]- 221.01794 133.5
[M+Na-2H]- 242.99989 139.5
[M]+ 222.02467 135.6
[M]- 222.02577 135.6
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