CID 26190169

3-fluoro-4-(2-methoxyphenoxy)aniline

Structural Information

Molecular Formula
C13H12FNO2
SMILES
COC1=CC=CC=C1OC2=C(C=C(C=C2)N)F
InChI
InChI=1S/C13H12FNO2/c1-16-12-4-2-3-5-13(12)17-11-7-6-9(15)8-10(11)14/h2-8H,15H2,1H3
InChIKey
VGNXTTBOFQFYLM-UHFFFAOYSA-N
Compound name
3-fluoro-4-(2-methoxyphenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.0852 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.09248 148.9
[M+Na]+ 256.07442 157.9
[M-H]- 232.07792 154.5
[M+NH4]+ 251.11902 166.5
[M+K]+ 272.04836 154.5
[M+H-H2O]+ 216.08246 140.6
[M+HCOO]- 278.08340 173.4
[M+CH3COO]- 292.09905 193.5
[M+Na-2H]- 254.05987 154.0
[M]+ 233.08465 148.9
[M]- 233.08575 148.9
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.