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]+ 182.108806 138.3
[M+Na]+ 204.090748 145.2
[M-H]- 180.094254 142.0
[M+NH4]+ 199.135353 158.0
[M+K]+ 220.064688 143.8
[M+H-H2O]+ 164.098790 130.9
[M+HCOO]- 226.099731 163.8
[M+CH3COO]- 240.115381 193.9
[M+Na-2H]- 202.076196 142.1
[M]+ 181.10098142 134.4
[M]- 181.10207858 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.