CID 55965

89427-41-8

Structural Information

Molecular Formula
C8H3Cl3F3N3
SMILES
C1(=C(C2=C(C(=C1Cl)Cl)NC(=N2)C(F)(F)F)Cl)N
InChI
InChI=1S/C8H3Cl3F3N3/c9-1-2(10)5-6(3(11)4(1)15)17-7(16-5)8(12,13)14/h15H2,(H,16,17)
InChIKey
QNPXUEHCQJDKJS-UHFFFAOYSA-N
Compound name
4,6,7-trichloro-2-(trifluoromethyl)-1H-benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.93448 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.94176 154.6
[M+Na]+ 325.92370 169.2
[M-H]- 301.92720 150.8
[M+NH4]+ 320.96830 171.0
[M+K]+ 341.89764 160.7
[M+H-H2O]+ 285.93174 147.8
[M+HCOO]- 347.93268 157.8
[M+CH3COO]- 361.94833 199.7
[M+Na-2H]- 323.90915 156.8
[M]+ 302.93393 153.8
[M]- 302.93503 153.8
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.