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

536
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 136.4
[M+Na]+ 245.01444 145.0
[M-H]- 221.01794 136.5
[M+NH4]+ 240.05904 153.6
[M+K]+ 260.98838 139.0
[M+H-H2O]+ 205.02248 133.0
[M+HCOO]- 267.02342 158.7
[M+CH3COO]- 281.03907 182.7
[M+Na-2H]- 242.99989 144.0
[M]+ 222.02467 130.8
[M]- 222.02577 130.8
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

No patent data available for this compound.