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

3073
Patents

250.05653 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.06381 145.4
[M+Na]+ 273.04575 152.7
[M-H]- 249.04925 144.2
[M+NH4]+ 268.09035 161.0
[M+K]+ 289.01969 145.7
[M+H-H2O]+ 233.05379 141.8
[M+HCOO]- 295.05473 166.2
[M+CH3COO]- 309.07038 186.8
[M+Na-2H]- 271.03120 152.6
[M]+ 250.05598 139.6
[M]- 250.05708 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