CID 23179

2,3,6-trichlorobenzylidenemalononitrile

Structural Information

Molecular Formula
C10H3Cl3N2
SMILES
C1=CC(=C(C(=C1Cl)C=C(C#N)C#N)Cl)Cl
InChI
InChI=1S/C10H3Cl3N2/c11-8-1-2-9(12)10(13)7(8)3-6(4-14)5-15/h1-3H
InChIKey
YSRDGZIPOBZBCA-UHFFFAOYSA-N
Compound name
2-[(2,3,6-trichlorophenyl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.93619 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.94347 159.8
[M+Na]+ 278.92541 172.6
[M-H]- 254.92891 162.8
[M+NH4]+ 273.97001 172.5
[M+K]+ 294.89935 165.2
[M+H-H2O]+ 238.93345 147.9
[M+HCOO]- 300.93439 163.2
[M+CH3COO]- 314.95004 221.5
[M+Na-2H]- 276.91086 160.2
[M]+ 255.93564 154.2
[M]- 255.93674 154.2
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