CID 3734463

2-ethoxy-4-fluoroaniline

Structural Information

Molecular Formula
C8H10FNO
SMILES
CCOC1=C(C=CC(=C1)F)N
InChI
InChI=1S/C8H10FNO/c1-2-11-8-5-6(9)3-4-7(8)10/h3-5H,2,10H2,1H3
InChIKey
CNNNOMZFRQSTMF-UHFFFAOYSA-N
Compound name
2-ethoxy-4-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

155.07465 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.081926 128.9
[M+Na]+ 178.063868 137.8
[M-H]- 154.067374 131.4
[M+NH4]+ 173.108473 150.0
[M+K]+ 194.037808 135.9
[M+H-H2O]+ 138.071910 122.6
[M+HCOO]- 200.072851 153.4
[M+CH3COO]- 214.088501 179.4
[M+Na-2H]- 176.049316 134.9
[M]+ 155.07410142 127.8
[M]- 155.07519858 127.8
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