CID 20213

Benzimidazole, 4-chloro-6-nitro-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C8H3ClF3N3O2
SMILES
C1=C(C=C(C2=C1NC(=N2)C(F)(F)F)Cl)[N+](=O)[O-]
InChI
InChI=1S/C8H3ClF3N3O2/c9-4-1-3(15(16)17)2-5-6(4)14-7(13-5)8(10,11)12/h1-2H,(H,13,14)
InChIKey
HNDQGIJHWSTKDW-UHFFFAOYSA-N
Compound name
4-chloro-6-nitro-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

264.9866 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.99388 145.0
[M+Na]+ 287.97582 156.9
[M-H]- 263.97932 143.0
[M+NH4]+ 283.02042 161.6
[M+K]+ 303.94976 147.2
[M+H-H2O]+ 247.98386 141.7
[M+HCOO]- 309.98480 159.6
[M+CH3COO]- 324.00045 184.5
[M+Na-2H]- 285.96127 153.5
[M]+ 264.98605 142.7
[M]- 264.98715 142.7
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

patents stripe