CID 670270

2,4-dichloro-n-(5-methyl-3-isoxazolyl)benzamide

Structural Information

Molecular Formula
C11H8Cl2N2O2
SMILES
CC1=CC(=NO1)NC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H8Cl2N2O2/c1-6-4-10(15-17-6)14-11(16)8-3-2-7(12)5-9(8)13/h2-5H,1H3,(H,14,15,16)
InChIKey
NFZPLDOANRZRPJ-UHFFFAOYSA-N
Compound name
2,4-dichloro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

21
Patents

269.99628 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.00356 157.1
[M+Na]+ 292.98550 167.9
[M-H]- 268.98900 163.2
[M+NH4]+ 288.03010 173.9
[M+K]+ 308.95944 163.4
[M+H-H2O]+ 252.99354 151.0
[M+HCOO]- 314.99448 171.7
[M+CH3COO]- 329.01013 195.6
[M+Na-2H]- 290.97095 160.5
[M]+ 269.99573 162.0
[M]- 269.99683 162.0
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