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

3
Patents

237.05565 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.062926 150.6
[M+Na]+ 260.044868 162.1
[M-H]- 236.048374 158.4
[M+NH4]+ 255.089473 172.0
[M+K]+ 276.018808 159.9
[M+H-H2O]+ 220.052910 145.9
[M+HCOO]- 282.053851 171.9
[M+CH3COO]- 296.069501 196.4
[M+Na-2H]- 258.030316 155.5
[M]+ 237.05510142 158.5
[M]- 237.05619858 158.5
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