CID 190300

2-[(3,5-dichlorophenyl)formamido]-2-methylpropanoic acid

Structural Information

Molecular Formula
C11H11Cl2NO3
SMILES
CC(C)(C(=O)O)NC(=O)C1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C11H11Cl2NO3/c1-11(2,10(16)17)14-9(15)6-3-7(12)5-8(13)4-6/h3-5H,1-2H3,(H,14,15)(H,16,17)
InChIKey
QKCTTYONJNFOSV-UHFFFAOYSA-N
Compound name
2-[(3,5-dichlorobenzoyl)amino]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0116 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.01888 154.8
[M+Na]+ 298.00082 163.5
[M-H]- 274.00432 157.2
[M+NH4]+ 293.04542 171.7
[M+K]+ 313.97476 158.6
[M+H-H2O]+ 258.00886 151.5
[M+HCOO]- 320.00980 166.4
[M+CH3COO]- 334.02545 196.1
[M+Na-2H]- 295.98627 157.8
[M]+ 275.01105 158.0
[M]- 275.01215 158.0
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.