CID 3017861

N-butyl-2-chloro-5-nitrobenzamide

Structural Information

Molecular Formula
C11H13ClN2O3
SMILES
CCCCNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl
InChI
InChI=1S/C11H13ClN2O3/c1-2-3-6-13-11(15)9-7-8(14(16)17)4-5-10(9)12/h4-5,7H,2-3,6H2,1H3,(H,13,15)
InChIKey
YDKDPVDEANOMEE-UHFFFAOYSA-N
Compound name
N-butyl-2-chloro-5-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

256.06146 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.06874 155.7
[M+Na]+ 279.05068 162.4
[M-H]- 255.05418 159.1
[M+NH4]+ 274.09528 172.5
[M+K]+ 295.02462 154.9
[M+H-H2O]+ 239.05872 154.9
[M+HCOO]- 301.05966 176.6
[M+CH3COO]- 315.07531 190.6
[M+Na-2H]- 277.03613 160.7
[M]+ 256.06091 157.2
[M]- 256.06201 157.2
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