CID 2799157

10442-83-8

Structural Information

Molecular Formula
C9H9F3N2O3
SMILES
C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NCCO
InChI
InChI=1S/C9H9F3N2O3/c10-9(11,12)6-1-2-7(13-3-4-15)8(5-6)14(16)17/h1-2,5,13,15H,3-4H2
InChIKey
NJZCRXQWPNNJNB-UHFFFAOYSA-N
Compound name
2-[2-nitro-4-(trifluoromethyl)anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3615
Patents

250.05653 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.063806 145.4
[M+Na]+ 273.045748 152.7
[M-H]- 249.049254 144.2
[M+NH4]+ 268.090353 161.0
[M+K]+ 289.019688 145.7
[M+H-H2O]+ 233.053790 141.8
[M+HCOO]- 295.054731 166.2
[M+CH3COO]- 309.070381 186.8
[M+Na-2H]- 271.031196 152.6
[M]+ 250.05598142 139.6
[M]- 250.05707858 139.6
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

patents stripe