CID 469147

Chembl280131

Structural Information

Molecular Formula
C16H7Cl3F6N2
SMILES
C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CN2C3=CC(=C(C=C3N=C2Cl)Cl)Cl
InChI
InChI=1S/C16H7Cl3F6N2/c17-10-4-12-13(5-11(10)18)27(14(19)26-12)6-7-1-8(15(20,21)22)3-9(2-7)16(23,24)25/h1-5H,6H2
InChIKey
ZOWMANBDCKOVCC-UHFFFAOYSA-N
Compound name
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,5,6-trichlorobenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

445.9579 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.96518 188.8
[M+Na]+ 468.94712 204.0
[M-H]- 444.95062 186.0
[M+NH4]+ 463.99172 200.6
[M+K]+ 484.92106 193.9
[M+H-H2O]+ 428.95516 176.7
[M+HCOO]- 490.95610 187.1
[M+CH3COO]- 504.97175 225.1
[M+Na-2H]- 466.93257 188.4
[M]+ 445.95735 189.1
[M]- 445.95845 189.1
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

No patent data available for this compound.