CID 710801

2-chloro-n-cyclopentyl-5-nitrobenzamide

Structural Information

Molecular Formula
C12H13ClN2O3
SMILES
C1CCC(C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C12H13ClN2O3/c13-11-6-5-9(15(17)18)7-10(11)12(16)14-8-3-1-2-4-8/h5-8H,1-4H2,(H,14,16)
InChIKey
DQUHUCPROQJYBH-UHFFFAOYSA-N
Compound name
2-chloro-N-cyclopentyl-5-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.06146 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.06874 160.4
[M+Na]+ 291.05068 165.4
[M-H]- 267.05418 166.4
[M+NH4]+ 286.09528 177.7
[M+K]+ 307.02462 157.6
[M+H-H2O]+ 251.05872 158.9
[M+HCOO]- 313.05966 180.0
[M+CH3COO]- 327.07531 190.0
[M+Na-2H]- 289.03613 163.4
[M]+ 268.06091 157.5
[M]- 268.06201 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.