CID 24689798

2-(2,5-difluorophenyl)-1h-1,3-benzodiazol-5-amine

Structural Information

Molecular Formula
C13H9F2N3
SMILES
C1=CC2=C(C=C1N)NC(=N2)C3=C(C=CC(=C3)F)F
InChI
InChI=1S/C13H9F2N3/c14-7-1-3-10(15)9(5-7)13-17-11-4-2-8(16)6-12(11)18-13/h1-6H,16H2,(H,17,18)
InChIKey
SJSLOFIDOXOORR-UHFFFAOYSA-N
Compound name
2-(2,5-difluorophenyl)-3H-benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.07645 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.08373 149.9
[M+Na]+ 268.06567 162.1
[M-H]- 244.06917 152.1
[M+NH4]+ 263.11027 166.9
[M+K]+ 284.03961 154.9
[M+H-H2O]+ 228.07371 140.4
[M+HCOO]- 290.07465 170.9
[M+CH3COO]- 304.09030 162.4
[M+Na-2H]- 266.05112 154.9
[M]+ 245.07590 146.9
[M]- 245.07700 146.9
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

No patent data available for this compound.