CID 19344

3671-61-2

Structural Information

Molecular Formula
C9H4F3N3
SMILES
C1=CC2=C(C=C1C#N)NC(=N2)C(F)(F)F
InChI
InChI=1S/C9H4F3N3/c10-9(11,12)8-14-6-2-1-5(4-13)3-7(6)15-8/h1-3H,(H,14,15)
InChIKey
PMISAFNVEGVLSS-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-3H-benzimidazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

211.03574 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.04302 139.4
[M+Na]+ 234.02496 152.3
[M-H]- 210.02846 136.2
[M+NH4]+ 229.06956 155.8
[M+K]+ 249.99890 146.4
[M+H-H2O]+ 194.03300 123.8
[M+HCOO]- 256.03394 153.8
[M+CH3COO]- 270.04959 194.7
[M+Na-2H]- 232.01041 145.4
[M]+ 211.03519 131.0
[M]- 211.03629 131.0
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