CID 1591523

N-allyl-2-chloro-4-nitrobenzamide

Structural Information

Molecular Formula
C10H9ClN2O3
SMILES
C=CCNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl
InChI
InChI=1S/C10H9ClN2O3/c1-2-5-12-10(14)8-4-3-7(13(15)16)6-9(8)11/h2-4,6H,1,5H2,(H,12,14)
InChIKey
VOFAMPGGDHUGDU-UHFFFAOYSA-N
Compound name
2-chloro-4-nitro-N-prop-2-enylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.03017 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.037446 149.8
[M+Na]+ 263.019388 157.3
[M-H]- 239.022894 153.4
[M+NH4]+ 258.063993 167.2
[M+K]+ 278.993328 149.3
[M+H-H2O]+ 223.027430 149.3
[M+HCOO]- 285.028371 171.2
[M+CH3COO]- 299.044021 186.6
[M+Na-2H]- 261.004836 155.3
[M]+ 240.02962142 150.3
[M]- 240.03071858 150.3
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.