CID 71695282

4-(dimethylamino)-3,5-difluorobenzene-1-carboximidamide

Structural Information

Molecular Formula
C9H11F2N3
SMILES
CN(C)C1=C(C=C(C=C1F)C(=N)N)F
InChI
InChI=1S/C9H11F2N3/c1-14(2)8-6(10)3-5(9(12)13)4-7(8)11/h3-4H,1-2H3,(H3,12,13)
InChIKey
FXMDKRZZJNKKNA-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-3,5-difluorobenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.0921 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.09938 140.9
[M+Na]+ 222.08132 148.8
[M-H]- 198.08482 143.6
[M+NH4]+ 217.12592 160.1
[M+K]+ 238.05526 146.9
[M+H-H2O]+ 182.08936 132.7
[M+HCOO]- 244.09030 165.3
[M+CH3COO]- 258.10595 197.9
[M+Na-2H]- 220.06677 143.4
[M]+ 199.09155 136.2
[M]- 199.09265 136.2
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.