CID 19584

3765-86-4

Structural Information

Molecular Formula
C8H4F3IN2
SMILES
C1=CC2=C(C=C1I)NC(=N2)C(F)(F)F
InChI
InChI=1S/C8H4F3IN2/c9-8(10,11)7-13-5-2-1-4(12)3-6(5)14-7/h1-3H,(H,13,14)
InChIKey
VWPQFAPZLPFZDE-UHFFFAOYSA-N
Compound name
6-iodo-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

311.93713 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.944406 137.7
[M+Na]+ 334.926348 142.7
[M-H]- 310.929854 128.8
[M+NH4]+ 329.970953 152.0
[M+K]+ 350.900288 143.8
[M+H-H2O]+ 294.934390 126.0
[M+HCOO]- 356.935331 151.0
[M+CH3COO]- 370.950981 189.7
[M+Na-2H]- 332.911796 133.5
[M]+ 311.93658142 132.2
[M]- 311.93767858 132.2
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