CID 206331

Benzimidazole, 2-pentafluoroethyl-4,5,6,7-tetrachloro-

Structural Information

Molecular Formula
C9HCl4F5N2
SMILES
C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)N=C(N2)C(C(F)(F)F)(F)F
InChI
InChI=1S/C9HCl4F5N2/c10-1-2(11)4(13)6-5(3(1)12)19-7(20-6)8(14,15)9(16,17)18/h(H,19,20)
InChIKey
ZXWVHRPIVWWMQX-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrachloro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

371.8814 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.88868 164.1
[M+Na]+ 394.87062 178.4
[M-H]- 370.87412 157.0
[M+NH4]+ 389.91522 177.6
[M+K]+ 410.84456 169.8
[M+H-H2O]+ 354.87866 155.7
[M+HCOO]- 416.87960 157.6
[M+CH3COO]- 430.89525 209.5
[M+Na-2H]- 392.85607 164.7
[M]+ 371.88085 161.6
[M]- 371.88195 161.6
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

patents stripe