CID 55967

Benzimidazole, 4-(dimethylamino)-5,6,7-trichloro-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C10H7Cl3F3N3
SMILES
CN(C)C1=C(C(=C(C2=C1NC(=N2)C(F)(F)F)Cl)Cl)Cl
InChI
InChI=1S/C10H7Cl3F3N3/c1-19(2)8-5(13)3(11)4(12)6-7(8)18-9(17-6)10(14,15)16/h1-2H3,(H,17,18)
InChIKey
VUBNWEVDRZRFID-UHFFFAOYSA-N
Compound name
5,6,7-trichloro-N,N-dimethyl-2-(trifluoromethyl)-3H-benzimidazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.96576 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.97304 162.8
[M+Na]+ 353.95498 176.7
[M-H]- 329.95848 160.6
[M+NH4]+ 348.99958 179.0
[M+K]+ 369.92892 169.3
[M+H-H2O]+ 313.96302 155.3
[M+HCOO]- 375.96396 166.4
[M+CH3COO]- 389.97961 209.1
[M+Na-2H]- 351.94043 164.3
[M]+ 330.96521 164.9
[M]- 330.96631 164.9
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.