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

25
Patents

171.06955 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07683 131.7
[M+Na]+ 194.05877 141.5
[M-H]- 170.06227 134.6
[M+NH4]+ 189.10337 152.4
[M+K]+ 210.03271 140.1
[M+H-H2O]+ 154.06681 125.3
[M+HCOO]- 216.06775 156.4
[M+CH3COO]- 230.08340 182.7
[M+Na-2H]- 192.04422 137.0
[M]+ 171.06900 132.4
[M]- 171.07010 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