CID 82184459

1-(5-chloro-6-fluoro-1h-1,3-benzodiazol-2-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C8H7ClFN3
SMILES
C1=C2C(=CC(=C1F)Cl)N=C(N2)CN
InChI
InChI=1S/C8H7ClFN3/c9-4-1-6-7(2-5(4)10)13-8(3-11)12-6/h1-2H,3,11H2,(H,12,13)
InChIKey
JNIUBYBARDPBID-UHFFFAOYSA-N
Compound name
(5-chloro-6-fluoro-1H-benzimidazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.03125 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.038526 136.7
[M+Na]+ 222.020468 149.3
[M-H]- 198.023974 136.4
[M+NH4]+ 217.065073 156.5
[M+K]+ 237.994408 142.9
[M+H-H2O]+ 182.028510 129.9
[M+HCOO]- 244.029451 154.2
[M+CH3COO]- 258.045101 150.0
[M+Na-2H]- 220.005916 142.7
[M]+ 199.03070142 136.7
[M]- 199.03179858 136.7
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

No patent data available for this compound.