CID 10749694

5-fluoro-2,4-dimethoxyaniline

Structural Information

Molecular Formula
C8H10FNO2
SMILES
COC1=CC(=C(C=C1N)F)OC
InChI
InChI=1S/C8H10FNO2/c1-11-7-4-8(12-2)6(10)3-5(7)9/h3-4H,10H2,1-2H3
InChIKey
QOIDQMOZTRAYET-UHFFFAOYSA-N
Compound name
5-fluoro-2,4-dimethoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

171.06955 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07683 133.2
[M+Na]+ 194.05877 145.0
[M+NH4]+ 189.10337 140.9
[M+K]+ 210.03271 139.5
[M-H]- 170.06227 134.3
[M+Na-2H]- 192.04422 139.1
[M]+ 171.06900 135.0
[M]- 171.07010 135.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe