CID 12715789

3-chloro-2-nitrobenzamide

Structural Information

Molecular Formula
C7H5ClN2O3
SMILES
C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C(=O)N
InChI
InChI=1S/C7H5ClN2O3/c8-5-3-1-2-4(7(9)11)6(5)10(12)13/h1-3H,(H2,9,11)
InChIKey
MCRCSTFZVNYBHR-UHFFFAOYSA-N
Compound name
3-chloro-2-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

199.99887 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.006146 136.4
[M+Na]+ 222.988088 144.8
[M-H]- 198.991594 140.0
[M+NH4]+ 218.032693 155.1
[M+K]+ 238.962028 137.9
[M+H-H2O]+ 182.996130 136.5
[M+HCOO]- 244.997071 158.0
[M+CH3COO]- 259.012721 178.4
[M+Na-2H]- 220.973536 142.6
[M]+ 199.99832142 135.6
[M]- 199.99941858 135.6
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