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

3
Patents

256.06146 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.068736 155.7
[M+Na]+ 279.050678 162.4
[M-H]- 255.054184 159.1
[M+NH4]+ 274.095283 172.5
[M+K]+ 295.024618 154.9
[M+H-H2O]+ 239.058720 154.9
[M+HCOO]- 301.059661 176.6
[M+CH3COO]- 315.075311 190.6
[M+Na-2H]- 277.036126 160.7
[M]+ 256.06091142 157.2
[M]- 256.06200858 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