CID 58298444

1006390-14-2

Structural Information

Molecular Formula
C8H8ClFN2O3
SMILES
C1=CC(=C(C(=C1[N+](=O)[O-])NCCO)Cl)F
InChI
InChI=1S/C8H8ClFN2O3/c9-7-5(10)1-2-6(12(14)15)8(7)11-3-4-13/h1-2,11,13H,3-4H2
InChIKey
WAHHSJLFAFREMV-UHFFFAOYSA-N
Compound name
2-(2-chloro-3-fluoro-6-nitroanilino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

234.02075 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.02803 143.4
[M+Na]+ 257.00997 151.8
[M-H]- 233.01347 144.7
[M+NH4]+ 252.05457 160.7
[M+K]+ 272.98391 143.8
[M+H-H2O]+ 217.01801 142.6
[M+HCOO]- 279.01895 163.5
[M+CH3COO]- 293.03460 183.6
[M+Na-2H]- 254.99542 149.7
[M]+ 234.02020 142.7
[M]- 234.02130 142.7
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