CID 710620

2,4-dichloro-n-cyclopentylbenzamide

Structural Information

Molecular Formula
C12H13Cl2NO
SMILES
C1CCC(C1)NC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H13Cl2NO/c13-8-5-6-10(11(14)7-8)12(16)15-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,15,16)
InChIKey
DZWHHCWYVZBASG-UHFFFAOYSA-N
Compound name
2,4-dichloro-N-cyclopentylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.0374 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.04468 158.0
[M+Na]+ 280.02662 165.5
[M-H]- 256.03012 163.6
[M+NH4]+ 275.07122 177.5
[M+K]+ 296.00056 159.5
[M+H-H2O]+ 240.03466 152.7
[M+HCOO]- 302.03560 171.5
[M+CH3COO]- 316.05125 193.4
[M+Na-2H]- 278.01207 158.8
[M]+ 257.03685 157.5
[M]- 257.03795 157.5
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

No patent data available for this compound.