CID 55966

Benzamide, n-(5,6,7-trichloro-2-(trifluoromethyl)-4-benzimidazolyl)-

Structural Information

Molecular Formula
C15H7Cl3F3N3O
SMILES
C1=CC=C(C=C1)C(=O)NC2=C(C(=C(C3=C2NC(=N3)C(F)(F)F)Cl)Cl)Cl
InChI
InChI=1S/C15H7Cl3F3N3O/c16-7-8(17)10(22-13(25)6-4-2-1-3-5-6)12-11(9(7)18)23-14(24-12)15(19,20)21/h1-5H,(H,22,25)(H,23,24)
InChIKey
NTMAKXFTJGNLNN-UHFFFAOYSA-N
Compound name
N-[5,6,7-trichloro-2-(trifluoromethyl)-3H-benzimidazol-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.9607 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.96798 181.4
[M+Na]+ 429.94992 194.3
[M-H]- 405.95342 180.8
[M+NH4]+ 424.99452 193.5
[M+K]+ 445.92386 185.0
[M+H-H2O]+ 389.95796 172.3
[M+HCOO]- 451.95890 183.8
[M+CH3COO]- 465.97455 190.4
[M+Na-2H]- 427.93537 182.5
[M]+ 406.96015 182.7
[M]- 406.96125 182.7
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.