CID 43658256

4-(dimethylamino)-3-fluorobenzene-1-carboximidamide dihydrochloride

Structural Information

Molecular Formula
C9H12FN3
SMILES
CN(C)C1=C(C=C(C=C1)C(=N)N)F
InChI
InChI=1S/C9H12FN3/c1-13(2)8-4-3-6(9(11)12)5-7(8)10/h3-5H,1-2H3,(H3,11,12)
InChIKey
OORXBBFFUXXPLF-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-3-fluorobenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.10153 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.10881 138.3
[M+Na]+ 204.09075 145.2
[M-H]- 180.09425 142.0
[M+NH4]+ 199.13535 158.0
[M+K]+ 220.06469 143.8
[M+H-H2O]+ 164.09879 130.9
[M+HCOO]- 226.09973 163.8
[M+CH3COO]- 240.11538 193.9
[M+Na-2H]- 202.07620 142.1
[M]+ 181.10098 134.4
[M]- 181.10208 134.4
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.