CID 50988488

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

Structural Information

Molecular Formula
C9H10FN3
SMILES
CN1C2=C(C=C(C=C2)F)N=C1CN
InChI
InChI=1S/C9H10FN3/c1-13-8-3-2-6(10)4-7(8)12-9(13)5-11/h2-4H,5,11H2,1H3
InChIKey
QCMOSFGWLQSUCN-UHFFFAOYSA-N
Compound name
(5-fluoro-1-methylbenzimidazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

179.08588 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.093156 134.4
[M+Na]+ 202.075098 146.4
[M-H]- 178.078604 135.8
[M+NH4]+ 197.119703 155.1
[M+K]+ 218.049038 142.4
[M+H-H2O]+ 162.083140 126.8
[M+HCOO]- 224.084081 157.9
[M+CH3COO]- 238.099731 148.6
[M+Na-2H]- 200.060546 140.9
[M]+ 179.08533142 134.8
[M]- 179.08642858 134.8
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.