CID 26190133

3-fluoro-4-propoxyaniline

Structural Information

Molecular Formula
C9H12FNO
SMILES
CCCOC1=C(C=C(C=C1)N)F
InChI
InChI=1S/C9H12FNO/c1-2-5-12-9-4-3-7(11)6-8(9)10/h3-4,6H,2,5,11H2,1H3
InChIKey
NFCPCAIHYGSXLP-UHFFFAOYSA-N
Compound name
3-fluoro-4-propoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

169.09029 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09757 134.5
[M+Na]+ 192.07951 146.2
[M+NH4]+ 187.12411 142.7
[M+K]+ 208.05345 139.7
[M-H]- 168.08301 136.0
[M+Na-2H]- 190.06496 140.9
[M]+ 169.08974 136.5
[M]- 169.09084 136.5
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