CID 3106764

2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-dihydrobenzimidazole

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 157.9
[M+Na]+ 327.94177 169.5
[M+NH4]+ 322.98637 164.5
[M+K]+ 343.91571 167.7
[M-H]- 303.94527 157.5
[M+Na-2H]- 325.92722 160.5
[M]+ 304.95200 159.8
[M]- 304.95310 159.8
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

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