CID 2852805

418785-68-9

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]+ 206.097566 142.1
[M+Na]+ 228.079508 150.8
[M-H]- 204.083014 148.8
[M+NH4]+ 223.124113 161.6
[M+K]+ 244.053448 148.4
[M+H-H2O]+ 188.087550 134.9
[M+HCOO]- 250.088491 167.3
[M+CH3COO]- 264.104141 187.7
[M+Na-2H]- 226.064956 148.1
[M]+ 205.08974142 142.4
[M]- 205.09083858 142.4
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.