CID 15058654

4-(2-fluoroethoxy)aniline

Structural Information

Molecular Formula
C8H10FNO
SMILES
C1=CC(=CC=C1N)OCCF
InChI
InChI=1S/C8H10FNO/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,5-6,10H2
InChIKey
MLFLCOQJVCANJG-UHFFFAOYSA-N
Compound name
4-(2-fluoroethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

155.07465 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.08193 129.2
[M+Na]+ 178.06387 137.1
[M-H]- 154.06737 131.2
[M+NH4]+ 173.10847 149.8
[M+K]+ 194.03781 135.1
[M+H-H2O]+ 138.07191 122.5
[M+HCOO]- 200.07285 153.7
[M+CH3COO]- 214.08850 178.3
[M+Na-2H]- 176.04932 135.9
[M]+ 155.07410 127.6
[M]- 155.07520 127.6
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