CID 45003

63886-84-0

Structural Information

Molecular Formula
C10H8Cl2N2O3
SMILES
C1CC1NC(=O)C2=CC(=C(C(=C2)Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C10H8Cl2N2O3/c11-7-3-5(10(15)13-6-1-2-6)4-8(12)9(7)14(16)17/h3-4,6H,1-2H2,(H,13,15)
InChIKey
OTSUTHIDQGCMTO-UHFFFAOYSA-N
Compound name
3,5-dichloro-N-cyclopropyl-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.9912 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.99848 146.2
[M+Na]+ 296.98042 155.3
[M-H]- 272.98392 152.6
[M+NH4]+ 292.02502 158.0
[M+K]+ 312.95436 146.0
[M+H-H2O]+ 256.98846 146.2
[M+HCOO]- 318.98940 162.8
[M+CH3COO]- 333.00505 194.7
[M+Na-2H]- 294.96587 151.3
[M]+ 273.99065 149.8
[M]- 273.99175 149.8
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.