CID 100649

Brn 0669565

Structural Information

Molecular Formula
C11H9ClN4O2
SMILES
COC1=CC(=C(C=C1NN=C(C#N)C#N)OC)Cl
InChI
InChI=1S/C11H9ClN4O2/c1-17-10-4-9(11(18-2)3-8(10)12)16-15-7(5-13)6-14/h3-4,16H,1-2H3
InChIKey
YTCUQJFPFHHJSC-UHFFFAOYSA-N
Compound name
2-[(4-chloro-2,5-dimethoxyphenyl)hydrazinylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.0414 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.04868 165.2
[M+Na]+ 287.03062 175.2
[M-H]- 263.03412 169.4
[M+NH4]+ 282.07522 176.8
[M+K]+ 303.00456 172.1
[M+H-H2O]+ 247.03866 150.2
[M+HCOO]- 309.03960 177.0
[M+CH3COO]- 323.05525 228.1
[M+Na-2H]- 285.01607 166.4
[M]+ 264.04085 160.3
[M]- 264.04195 160.3
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.