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

2
Patents

149.06407 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.07135 129.1
[M+Na]+ 172.05329 139.2
[M-H]- 148.05679 130.1
[M+NH4]+ 167.09789 147.8
[M+K]+ 188.02723 135.0
[M+H-H2O]+ 132.06133 116.8
[M+HCOO]- 194.06227 147.8
[M+CH3COO]- 208.07792 186.8
[M+Na-2H]- 170.03874 135.3
[M]+ 149.06352 121.6
[M]- 149.06462 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