CID 84803786

4-chloro-1-(2,2,2-trifluoroethyl)-1h-1,3-benzodiazol-2-amine

Structural Information

Molecular Formula
C9H7ClF3N3
SMILES
C1=CC2=C(C(=C1)Cl)N=C(N2CC(F)(F)F)N
InChI
InChI=1S/C9H7ClF3N3/c10-5-2-1-3-6-7(5)15-8(14)16(6)4-9(11,12)13/h1-3H,4H2,(H2,14,15)
InChIKey
YNOWPSKNEWCZBD-UHFFFAOYSA-N
Compound name
4-chloro-1-(2,2,2-trifluoroethyl)benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

249.02806 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.03534 147.2
[M+Na]+ 272.01728 160.3
[M-H]- 248.02078 145.9
[M+NH4]+ 267.06188 165.8
[M+K]+ 287.99122 154.1
[M+H-H2O]+ 232.02532 138.5
[M+HCOO]- 294.02626 162.2
[M+CH3COO]- 308.04191 193.1
[M+Na-2H]- 270.00273 152.7
[M]+ 249.02751 146.7
[M]- 249.02861 146.7
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