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

30
Patents

183.0608 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06808 132.3
[M+Na]+ 206.05002 144.4
[M-H]- 182.05352 131.1
[M+NH4]+ 201.09462 152.0
[M+K]+ 222.02396 139.3
[M+H-H2O]+ 166.05806 124.2
[M+HCOO]- 228.05900 153.6
[M+CH3COO]- 242.07465 145.7
[M+Na-2H]- 204.03547 138.4
[M]+ 183.06025 129.5
[M]- 183.06135 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