CID 60679023

2-fluoro-n-(prop-2-yn-1-yl)aniline

Structural Information

Molecular Formula
C9H8FN
SMILES
C#CCNC1=CC=CC=C1F
InChI
InChI=1S/C9H8FN/c1-2-7-11-9-6-4-3-5-8(9)10/h1,3-6,11H,7H2
InChIKey
YIVLEUZTAKNXGG-UHFFFAOYSA-N
Compound name
2-fluoro-N-prop-2-ynylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

149.06407 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.071346 129.1
[M+Na]+ 172.053288 139.2
[M-H]- 148.056794 130.1
[M+NH4]+ 167.097893 147.8
[M+K]+ 188.027228 135.0
[M+H-H2O]+ 132.061330 116.8
[M+HCOO]- 194.062271 147.8
[M+CH3COO]- 208.077921 186.8
[M+Na-2H]- 170.038736 135.3
[M]+ 149.06352142 121.6
[M]- 149.06461858 121.6
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