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]+ 206.09757 142.1
[M+Na]+ 228.07951 150.8
[M-H]- 204.08301 148.8
[M+NH4]+ 223.12411 161.6
[M+K]+ 244.05345 148.4
[M+H-H2O]+ 188.08755 134.9
[M+HCOO]- 250.08849 167.3
[M+CH3COO]- 264.10414 187.7
[M+Na-2H]- 226.06496 148.1
[M]+ 205.08974 142.4
[M]- 205.09084 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.