CID 130719257

1804174-58-0

Structural Information

Molecular Formula
C8H6F3N3
SMILES
C1=C(C=C2C(=C1C(F)(F)F)N=CN2)N
InChI
InChI=1S/C8H6F3N3/c9-8(10,11)5-1-4(12)2-6-7(5)14-3-13-6/h1-3H,12H2,(H,13,14)
InChIKey
UKUXVNQIUNIXFK-UHFFFAOYSA-N
Compound name
7-(trifluoromethyl)-3H-benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

201.05138 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.05866 136.2
[M+Na]+ 224.04060 147.8
[M-H]- 200.04410 133.6
[M+NH4]+ 219.08520 154.9
[M+K]+ 240.01454 142.7
[M+H-H2O]+ 184.04864 127.5
[M+HCOO]- 246.04958 154.7
[M+CH3COO]- 260.06523 182.6
[M+Na-2H]- 222.02605 143.1
[M]+ 201.05083 131.1
[M]- 201.05193 131.1
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