CID 2805051

Ns00016727

Structural Information

Molecular Formula
C10H11FN4
SMILES
CC(=NN(C)C1=C(C(=CC=C1)F)C#N)N
InChI
InChI=1S/C10H11FN4/c1-7(13)14-15(2)10-5-3-4-9(11)8(10)6-12/h3-5H,1-2H3,(H2,13,14)
InChIKey
ALUXNCUKCQZUSF-UHFFFAOYSA-N
Compound name
N'-(2-cyano-3-fluoro-N-methylanilino)ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

206.09677 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.104046 147.7
[M+Na]+ 229.085988 156.1
[M-H]- 205.089494 151.6
[M+NH4]+ 224.130593 164.7
[M+K]+ 245.059928 154.8
[M+H-H2O]+ 189.094030 133.2
[M+HCOO]- 251.094971 170.1
[M+CH3COO]- 265.110621 210.5
[M+Na-2H]- 227.071436 150.7
[M]+ 206.09622142 140.7
[M]- 206.09731858 140.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.