CID 581110

3-fluoro-4-methoxyaniline

Structural Information

Molecular Formula
C7H8FNO
SMILES
COC1=C(C=C(C=C1)N)F
InChI
InChI=1S/C7H8FNO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3
InChIKey
LJWAPDSCYTZUJU-UHFFFAOYSA-N
Compound name
3-fluoro-4-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1739
Patents

141.05899 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.066266 124.2
[M+Na]+ 164.048208 133.6
[M-H]- 140.051714 126.9
[M+NH4]+ 159.092813 145.8
[M+K]+ 180.022148 131.9
[M+H-H2O]+ 124.056250 118.1
[M+HCOO]- 186.057191 149.1
[M+CH3COO]- 200.072841 176.4
[M+Na-2H]- 162.033656 130.8
[M]+ 141.05844142 122.7
[M]- 141.05953858 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

literature stripe

Patent stripe

patents stripe