CID 19599205

4-ethoxy-3-fluoroaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

155.07465 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.08193 130.0
[M+Na]+ 178.06387 141.9
[M+NH4]+ 173.10847 138.3
[M+K]+ 194.03781 135.6
[M-H]- 154.06737 131.5
[M+Na-2H]- 176.04932 136.6
[M]+ 155.07410 132.0
[M]- 155.07520 132.0
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