CID 57429548

2460756-96-9

Structural Information

Molecular Formula
C8H10FNO2
SMILES
COC1=C(C(=C(C=C1)N)F)OC
InChI
InChI=1S/C8H10FNO2/c1-11-6-4-3-5(10)7(9)8(6)12-2/h3-4H,10H2,1-2H3
InChIKey
TUOVLUXPNIFZPC-UHFFFAOYSA-N
Compound name
2-fluoro-3,4-dimethoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

171.06955 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.076826 131.7
[M+Na]+ 194.058768 141.5
[M-H]- 170.062274 134.6
[M+NH4]+ 189.103373 152.4
[M+K]+ 210.032708 140.1
[M+H-H2O]+ 154.066810 125.3
[M+HCOO]- 216.067751 156.4
[M+CH3COO]- 230.083401 182.7
[M+Na-2H]- 192.044216 137.0
[M]+ 171.06900142 132.4
[M]- 171.07009858 132.4
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