CID 11537217

380623-76-7

Structural Information

Molecular Formula
C10H5ClN4O5S
SMILES
C1=CC(=C(C=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-])Cl)[N+](=O)[O-]
InChI
InChI=1S/C10H5ClN4O5S/c11-6-3-5(1-2-7(6)14(17)18)9(16)13-10-12-4-8(21-10)15(19)20/h1-4H,(H,12,13,16)
InChIKey
XCHLNGBTHLJLFG-UHFFFAOYSA-N
Compound name
3-chloro-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

444
Patents

327.96692 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.97420 169.2
[M+Na]+ 350.95614 174.3
[M-H]- 326.95964 174.7
[M+NH4]+ 346.00074 181.5
[M+K]+ 366.93008 162.2
[M+H-H2O]+ 310.96418 170.9
[M+HCOO]- 372.96512 185.6
[M+CH3COO]- 386.98077 192.8
[M+Na-2H]- 348.94159 174.4
[M]+ 327.96637 168.1
[M]- 327.96747 168.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe