CID 5404998

2,4-dichlorobenzoic (furfurylidene)hydrazide

Structural Information

Molecular Formula
C12H8Cl2N2O2
SMILES
C1=COC(=C1)/C=N\NC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H8Cl2N2O2/c13-8-3-4-10(11(14)6-8)12(17)16-15-7-9-2-1-5-18-9/h1-7H,(H,16,17)/b15-7-
InChIKey
JNKSRANESKANJD-CHHVJCJISA-N
Compound name
2,4-dichloro-N-[(Z)-furan-2-ylmethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.99628 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.00356 163.3
[M+Na]+ 304.98550 172.8
[M-H]- 280.98900 171.7
[M+NH4]+ 300.03010 181.0
[M+K]+ 320.95944 168.1
[M+H-H2O]+ 264.99354 157.3
[M+HCOO]- 326.99448 181.6
[M+CH3COO]- 341.01013 200.7
[M+Na-2H]- 302.97095 167.5
[M]+ 281.99573 168.3
[M]- 281.99683 168.3
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

patents stripe