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]+ 241.03745 149.8
[M+Na]+ 263.01939 157.3
[M-H]- 239.02289 153.4
[M+NH4]+ 258.06399 167.2
[M+K]+ 278.99333 149.3
[M+H-H2O]+ 223.02743 149.3
[M+HCOO]- 285.02837 171.2
[M+CH3COO]- 299.04402 186.6
[M+Na-2H]- 261.00484 155.3
[M]+ 240.02962 150.3
[M]- 240.03072 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.