CID 3040680

2-benzofurancarboxamide, 5-chloro-n,n,3-trimethyl-

Structural Information

Molecular Formula
C12H12ClNO2
SMILES
CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)N(C)C
InChI
InChI=1S/C12H12ClNO2/c1-7-9-6-8(13)4-5-10(9)16-11(7)12(15)14(2)3/h4-6H,1-3H3
InChIKey
HRFBMEAKVCIUOL-UHFFFAOYSA-N
Compound name
5-chloro-N,N,3-trimethyl-1-benzofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

237.05565 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.06293 148.4
[M+Na]+ 260.04487 162.7
[M+NH4]+ 255.08947 157.6
[M+K]+ 276.01881 158.1
[M-H]- 236.04837 152.8
[M+Na-2H]- 258.03032 154.4
[M]+ 237.05510 152.1
[M]- 237.05620 152.1
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

patents stripe