CID 55296411

(4,5-difluoro-1h-1,3-benzodiazol-2-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C8H7F2N3
SMILES
C1=CC(=C(C2=C1NC(=N2)CN)F)F
InChI
InChI=1S/C8H7F2N3/c9-4-1-2-5-8(7(4)10)13-6(3-11)12-5/h1-2H,3,11H2,(H,12,13)
InChIKey
MKGJVQVBWXQDGQ-UHFFFAOYSA-N
Compound name
(4,5-difluoro-1H-benzimidazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

183.0608 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.068076 132.3
[M+Na]+ 206.050018 144.4
[M-H]- 182.053524 131.1
[M+NH4]+ 201.094623 152.0
[M+K]+ 222.023958 139.3
[M+H-H2O]+ 166.058060 124.2
[M+HCOO]- 228.059001 153.6
[M+CH3COO]- 242.074651 145.7
[M+Na-2H]- 204.035466 138.4
[M]+ 183.06025142 129.5
[M]- 183.06134858 129.5
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