CID 968932

4-chloro-n-(furan-2-ylmethyl)aniline

Structural Information

Molecular Formula
C11H10ClNO
SMILES
C1=COC(=C1)CNC2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H10ClNO/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h1-7,13H,8H2
InChIKey
SORYCONFCUFJND-UHFFFAOYSA-N
Compound name
4-chloro-N-(furan-2-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

207.04509 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05237 143.3
[M+Na]+ 230.03431 152.2
[M-H]- 206.03781 150.8
[M+NH4]+ 225.07891 163.2
[M+K]+ 246.00825 148.5
[M+H-H2O]+ 190.04235 137.4
[M+HCOO]- 252.04329 165.1
[M+CH3COO]- 266.05894 157.4
[M+Na-2H]- 228.01976 150.3
[M]+ 207.04454 145.9
[M]- 207.04564 145.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe