CID 7131764

694431-80-6

Structural Information

Molecular Formula
C9H12FNO
SMILES
CNCCOC1=CC=C(C=C1)F
InChI
InChI=1S/C9H12FNO/c1-11-6-7-12-9-4-2-8(10)3-5-9/h2-5,11H,6-7H2,1H3
InChIKey
VZQSZMVYSMWEOC-UHFFFAOYSA-N
Compound name
2-(4-fluorophenoxy)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

169.09029 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09757 133.3
[M+Na]+ 192.07951 140.8
[M-H]- 168.08301 135.7
[M+NH4]+ 187.12411 153.7
[M+K]+ 208.05345 138.9
[M+H-H2O]+ 152.08755 126.4
[M+HCOO]- 214.08849 158.1
[M+CH3COO]- 228.10414 182.0
[M+Na-2H]- 190.06496 140.6
[M]+ 169.08974 133.1
[M]- 169.09084 133.1
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