CID 3077872

(1-(2,6-dichlorophenyl)-2(1h)-pyridinylidene)cyanamide

Structural Information

Molecular Formula
C13H9Cl2N3
SMILES
C1=CC(=NC#N)N(C=C1)CC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C13H9Cl2N3/c14-11-4-3-5-12(15)10(11)8-18-7-2-1-6-13(18)17-9-16/h1-7H,8H2
InChIKey
HJSRHJLZFYUICE-UHFFFAOYSA-N
Compound name
[1-[(2,6-dichlorophenyl)methyl]pyridin-2-ylidene]cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

277.01736 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.02464 162.0
[M+Na]+ 300.00658 174.8
[M-H]- 276.01008 166.5
[M+NH4]+ 295.05118 176.8
[M+K]+ 315.98052 166.6
[M+H-H2O]+ 260.01462 148.4
[M+HCOO]- 322.01556 174.9
[M+CH3COO]- 336.03121 172.7
[M+Na-2H]- 297.99203 166.7
[M]+ 277.01681 160.2
[M]- 277.01791 160.2
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