CID 9575570

Benzenecarboximidamide, 2,4-dichloro-n'-[(5-fluoro-2-methylbenzoyl)oxy]-

Structural Information

Molecular Formula
C15H11Cl2FN2O2
SMILES
CC1=C(C=C(C=C1)F)C(=O)O/N=C(/C2=C(C=C(C=C2)Cl)Cl)\N
InChI
InChI=1S/C15H11Cl2FN2O2/c1-8-2-4-10(18)7-12(8)15(21)22-20-14(19)11-5-3-9(16)6-13(11)17/h2-7H,1H3,(H2,19,20)
InChIKey
YNRFBVMWUFCQRN-UHFFFAOYSA-N
Compound name
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 5-fluoro-2-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.01816 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.02544 173.1
[M+Na]+ 363.00738 183.0
[M-H]- 339.01088 179.3
[M+NH4]+ 358.05198 188.2
[M+K]+ 378.98132 176.9
[M+H-H2O]+ 323.01542 166.1
[M+HCOO]- 385.01636 188.3
[M+CH3COO]- 399.03201 214.9
[M+Na-2H]- 360.99283 173.7
[M]+ 340.01761 176.4
[M]- 340.01871 176.4
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.