CID 61038441

2839157-30-9

Structural Information

Molecular Formula
C9H11FN2O3
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])F)OCCCN
InChI
InChI=1S/C9H11FN2O3/c10-8-6-7(12(13)14)2-3-9(8)15-5-1-4-11/h2-3,6H,1,4-5,11H2
InChIKey
HGQUZMCWSLNDRZ-UHFFFAOYSA-N
Compound name
3-(2-fluoro-4-nitrophenoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.07536 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08264 142.1
[M+Na]+ 237.06458 149.2
[M-H]- 213.06808 144.2
[M+NH4]+ 232.10918 159.6
[M+K]+ 253.03852 143.2
[M+H-H2O]+ 197.07262 139.5
[M+HCOO]- 259.07356 167.4
[M+CH3COO]- 273.08921 183.7
[M+Na-2H]- 235.05003 148.5
[M]+ 214.07481 140.2
[M]- 214.07591 140.2
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.