CID 3106764

2-(2,3,3-trichloro-1-nitro-allylidene)-2,3-dihydro-1h-benzoimidazole

Structural Information

Molecular Formula
C10H6Cl3N3O2
SMILES
C1=CC=C2C(=C1)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2
InChI
InChI=1S/C10H6Cl3N3O2/c11-7(9(12)13)8(16(17)18)10-14-5-3-1-2-4-6(5)15-10/h1-4,14-15H
InChIKey
NMWNNVAECBLGFO-UHFFFAOYSA-N
Compound name
2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-dihydrobenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1
Patents

304.95255 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.95983 161.5
[M+Na]+ 327.94177 167.0
[M-H]- 303.94527 158.1
[M+NH4]+ 322.98637 174.8
[M+K]+ 343.91571 156.4
[M+H-H2O]+ 287.94981 161.2
[M+HCOO]- 349.95075 162.7
[M+CH3COO]- 363.96640 187.7
[M+Na-2H]- 325.92722 162.6
[M]+ 304.95200 156.2
[M]- 304.95310 156.2
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