CID 5181757

N-tert-butyl-2,4-dichlorobenzamide

Structural Information

Molecular Formula
C11H13Cl2NO
SMILES
CC(C)(C)NC(=O)C1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C11H13Cl2NO/c1-11(2,3)14-10(15)8-5-4-7(12)6-9(8)13/h4-6H,1-3H3,(H,14,15)
InChIKey
OFYMPLOWRZYCTN-UHFFFAOYSA-N
Compound name
N-tert-butyl-2,4-dichlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

245.03741 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.044686 151.8
[M+Na]+ 268.026628 161.2
[M-H]- 244.030134 155.4
[M+NH4]+ 263.071233 170.9
[M+K]+ 284.000568 156.0
[M+H-H2O]+ 228.034670 148.2
[M+HCOO]- 290.035611 165.0
[M+CH3COO]- 304.051261 193.8
[M+Na-2H]- 266.012076 156.0
[M]+ 245.03686142 155.1
[M]- 245.03795858 155.1
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