CID 79769085

4-fluoro-2-iodo-n-(2-methoxyethyl)aniline

Structural Information

Molecular Formula
C9H11FINO
SMILES
COCCNC1=C(C=C(C=C1)F)I
InChI
InChI=1S/C9H11FINO/c1-13-5-4-12-9-3-2-7(10)6-8(9)11/h2-3,6,12H,4-5H2,1H3
InChIKey
GLWFJLLGPSTPRT-UHFFFAOYSA-N
Compound name
4-fluoro-2-iodo-N-(2-methoxyethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.98694 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.99422 149.9
[M+Na]+ 317.97616 153.9
[M+NH4]+ 313.02076 153.5
[M+K]+ 333.95010 150.3
[M-H]- 293.97966 145.2
[M+Na-2H]- 315.96161 143.5
[M]+ 294.98639 147.9
[M]- 294.98749 147.9
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.