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]+ 208.05237 143.8
[M+Na]+ 230.03431 154.5
[M-H]- 206.03781 151.6
[M+NH4]+ 225.07891 164.1
[M+K]+ 246.00825 150.6
[M+H-H2O]+ 190.04235 138.6
[M+HCOO]- 252.04329 165.0
[M+CH3COO]- 266.05894 158.4
[M+Na-2H]- 228.01976 148.4
[M]+ 207.04454 146.2
[M]- 207.04564 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.