CID 581109

3-fluoro-2-methoxyaniline

Structural Information

Molecular Formula
C7H8FNO
SMILES
COC1=C(C=CC=C1F)N
InChI
InChI=1S/C7H8FNO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,9H2,1H3
InChIKey
RCYMPYMITUEHOJ-UHFFFAOYSA-N
Compound name
3-fluoro-2-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

628
Patents

141.05899 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06627 124.2
[M+Na]+ 164.04821 133.6
[M-H]- 140.05171 126.9
[M+NH4]+ 159.09281 145.8
[M+K]+ 180.02215 131.9
[M+H-H2O]+ 124.05625 118.1
[M+HCOO]- 186.05719 149.1
[M+CH3COO]- 200.07284 176.4
[M+Na-2H]- 162.03366 130.8
[M]+ 141.05844 122.7
[M]- 141.05954 122.7
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