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]+ 200.03853 136.7
[M+Na]+ 222.02047 149.3
[M-H]- 198.02397 136.4
[M+NH4]+ 217.06507 156.5
[M+K]+ 237.99441 142.9
[M+H-H2O]+ 182.02851 129.9
[M+HCOO]- 244.02945 154.2
[M+CH3COO]- 258.04510 150.0
[M+Na-2H]- 220.00592 142.7
[M]+ 199.03070 136.7
[M]- 199.03180 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.