CID 2852805

4-fluoro-n-(furan-2-ylmethyl)-2-methylaniline

Structural Information

Molecular Formula
C12H12FNO
SMILES
CC1=C(C=CC(=C1)F)NCC2=CC=CO2
InChI
InChI=1S/C12H12FNO/c1-9-7-10(13)4-5-12(9)14-8-11-3-2-6-15-11/h2-7,14H,8H2,1H3
InChIKey
MAYDRJROPUTKBT-UHFFFAOYSA-N
Compound name
4-fluoro-N-(furan-2-ylmethyl)-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.09029 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09757 145.0
[M+Na]+ 228.07951 157.8
[M+NH4]+ 223.12411 153.7
[M+K]+ 244.05345 152.4
[M-H]- 204.08301 149.8
[M+Na-2H]- 226.06496 152.7
[M]+ 205.08974 148.2
[M]- 205.09084 148.2
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.