CID 19342

3671-47-4

Structural Information

Molecular Formula
C8H4F4N2
SMILES
C1=CC2=C(C=C1F)NC(=N2)C(F)(F)F
InChI
InChI=1S/C8H4F4N2/c9-4-1-2-5-6(3-4)14-7(13-5)8(10,11)12/h1-3H,(H,13,14)
InChIKey
ZZRMDPMUZKDLTO-UHFFFAOYSA-N
Compound name
6-fluoro-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

204.03107 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.03835 134.8
[M+Na]+ 227.02029 147.3
[M-H]- 203.02379 131.4
[M+NH4]+ 222.06489 153.9
[M+K]+ 242.99423 142.2
[M+H-H2O]+ 187.02833 125.4
[M+HCOO]- 249.02927 151.8
[M+CH3COO]- 263.04492 181.3
[M+Na-2H]- 225.00574 141.5
[M]+ 204.03052 130.2
[M]- 204.03162 130.2
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