CID 26189628

5-fluoro-2-(2-methoxyethoxy)aniline

Structural Information

Molecular Formula
C9H12FNO2
SMILES
COCCOC1=C(C=C(C=C1)F)N
InChI
InChI=1S/C9H12FNO2/c1-12-4-5-13-9-3-2-7(10)6-8(9)11/h2-3,6H,4-5,11H2,1H3
InChIKey
ADKLFZDWFZAEST-UHFFFAOYSA-N
Compound name
5-fluoro-2-(2-methoxyethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

185.0852 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.09248 136.7
[M+Na]+ 208.07442 145.1
[M-H]- 184.07792 138.9
[M+NH4]+ 203.11902 156.4
[M+K]+ 224.04836 143.4
[M+H-H2O]+ 168.08246 129.8
[M+HCOO]- 230.08340 161.1
[M+CH3COO]- 244.09905 184.5
[M+Na-2H]- 206.05987 142.1
[M]+ 185.08465 137.4
[M]- 185.08575 137.4
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