CID 19627141

5-fluoro-2-(2-methoxy-4-methylphenoxy)aniline

Structural Information

Molecular Formula
C14H14FNO2
SMILES
CC1=CC(=C(C=C1)OC2=C(C=C(C=C2)F)N)OC
InChI
InChI=1S/C14H14FNO2/c1-9-3-5-13(14(7-9)17-2)18-12-6-4-10(15)8-11(12)16/h3-8H,16H2,1-2H3
InChIKey
IXJDGGHFCGSGEJ-UHFFFAOYSA-N
Compound name
5-fluoro-2-(2-methoxy-4-methylphenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.10086 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.10814 153.5
[M+Na]+ 270.09008 163.0
[M-H]- 246.09358 159.4
[M+NH4]+ 265.13468 170.9
[M+K]+ 286.06402 159.4
[M+H-H2O]+ 230.09812 145.3
[M+HCOO]- 292.09906 177.7
[M+CH3COO]- 306.11471 197.7
[M+Na-2H]- 268.07553 157.4
[M]+ 247.10031 154.3
[M]- 247.10141 154.3
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

No patent data available for this compound.