CID 122457

Ethanol, 2,2'-[(4-fluoro-3-nitrophenyl)imino]bis-

Structural Information

Molecular Formula
C10H13FN2O4
SMILES
C1=CC(=C(C=C1N(CCO)CCO)[N+](=O)[O-])F
InChI
InChI=1S/C10H13FN2O4/c11-9-2-1-8(7-10(9)13(16)17)12(3-5-14)4-6-15/h1-2,7,14-15H,3-6H2
InChIKey
ZZJIOLHDWAXCSE-UHFFFAOYSA-N
Compound name
2-[4-fluoro-N-(2-hydroxyethyl)-3-nitroanilino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

43
Patents

244.08594 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09322 149.1
[M+Na]+ 267.07516 154.9
[M-H]- 243.07866 150.1
[M+NH4]+ 262.11976 164.7
[M+K]+ 283.04910 149.1
[M+H-H2O]+ 227.08320 146.3
[M+HCOO]- 289.08414 172.3
[M+CH3COO]- 303.09979 187.6
[M+Na-2H]- 265.06061 154.5
[M]+ 244.08539 147.3
[M]- 244.08649 147.3
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