CID 45077898

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

Structural Information

Molecular Formula
C8H8FN3
SMILES
C1=CC2=C(C(=C1)F)N=C(N2)CN
InChI
InChI=1S/C8H8FN3/c9-5-2-1-3-6-8(5)12-7(4-10)11-6/h1-3H,4,10H2,(H,11,12)
InChIKey
XYMQPPPHJYPORZ-UHFFFAOYSA-N
Compound name
(4-fluoro-1H-benzimidazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

165.07022 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.07750 129.7
[M+Na]+ 188.05944 140.7
[M-H]- 164.06294 129.5
[M+NH4]+ 183.10404 149.9
[M+K]+ 204.03338 136.1
[M+H-H2O]+ 148.06748 122.2
[M+HCOO]- 210.06842 152.0
[M+CH3COO]- 224.08407 143.2
[M+Na-2H]- 186.04489 137.1
[M]+ 165.06967 127.5
[M]- 165.07077 127.5
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