CID 16787814

4-fluoro-2-propoxyaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 133.6
[M+Na]+ 192.07951 142.1
[M-H]- 168.08301 135.9
[M+NH4]+ 187.12411 154.1
[M+K]+ 208.05345 139.9
[M+H-H2O]+ 152.08755 127.0
[M+HCOO]- 214.08849 157.8
[M+CH3COO]- 228.10414 182.5
[M+Na-2H]- 190.06496 139.1
[M]+ 169.08974 132.8
[M]- 169.09084 132.8
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