CID 54595127

4-fluoro-2-(prop-2-yn-1-yloxy)aniline hydrochloride

Structural Information

Molecular Formula
C9H8FNO
SMILES
C#CCOC1=C(C=CC(=C1)F)N
InChI
InChI=1S/C9H8FNO/c1-2-5-12-9-6-7(10)3-4-8(9)11/h1,3-4,6H,5,11H2
InChIKey
NPQFJXQIMYSQOH-UHFFFAOYSA-N
Compound name
4-fluoro-2-prop-2-ynoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.05899 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.066266 132.1
[M+Na]+ 188.048208 143.0
[M-H]- 164.051714 133.0
[M+NH4]+ 183.092813 150.3
[M+K]+ 204.022148 139.1
[M+H-H2O]+ 148.056250 119.9
[M+HCOO]- 210.057191 150.5
[M+CH3COO]- 224.072841 189.0
[M+Na-2H]- 186.033656 136.7
[M]+ 165.05844142 125.4
[M]- 165.05953858 125.4
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

No patent data available for this compound.