CID 61317391

5-chloro-2-(5-methylfuran-2-yl)aniline

Structural Information

Molecular Formula
C11H10ClNO
SMILES
CC1=CC=C(O1)C2=C(C=C(C=C2)Cl)N
InChI
InChI=1S/C11H10ClNO/c1-7-2-5-11(14-7)9-4-3-8(12)6-10(9)13/h2-6H,13H2,1H3
InChIKey
ZFRJTVOAMGGBPX-UHFFFAOYSA-N
Compound name
5-chloro-2-(5-methylfuran-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.04509 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.052366 143.8
[M+Na]+ 230.034308 154.5
[M-H]- 206.037814 151.6
[M+NH4]+ 225.078913 164.1
[M+K]+ 246.008248 150.6
[M+H-H2O]+ 190.042350 138.6
[M+HCOO]- 252.043291 165.0
[M+CH3COO]- 266.058941 158.4
[M+Na-2H]- 228.019756 148.4
[M]+ 207.04454142 146.2
[M]- 207.04563858 146.2
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

No patent data available for this compound.