CID 9575579

Benzenecarboximidamide, n'-[(benzo[b]thien-2-ylcarbonyl)oxy]-2,4-dichloro-

Structural Information

Molecular Formula
C16H10Cl2N2O2S
SMILES
C1=CC=C2C(=C1)C=C(S2)C(=O)O/N=C(/C3=C(C=C(C=C3)Cl)Cl)\N
InChI
InChI=1S/C16H10Cl2N2O2S/c17-10-5-6-11(12(18)8-10)15(19)20-22-16(21)14-7-9-3-1-2-4-13(9)23-14/h1-8H,(H2,19,20)
InChIKey
AUURPDXWVIKIOL-UHFFFAOYSA-N
Compound name
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 1-benzothiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.984 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.99128 180.6
[M+Na]+ 386.97322 191.3
[M-H]- 362.97672 189.6
[M+NH4]+ 382.01782 198.0
[M+K]+ 402.94716 184.5
[M+H-H2O]+ 346.98126 175.3
[M+HCOO]- 408.98220 193.3
[M+CH3COO]- 422.99785 192.4
[M+Na-2H]- 384.95867 181.6
[M]+ 363.98345 188.3
[M]- 363.98455 188.3
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.