CID 323679

58502-55-9

Structural Information

Molecular Formula
C14H12Cl2N4
SMILES
CC1(C(=C)N(C2=CC=CC=C21)C3=NC(=NC(=N3)Cl)Cl)C
InChI
InChI=1S/C14H12Cl2N4/c1-8-14(2,3)9-6-4-5-7-10(9)20(8)13-18-11(15)17-12(16)19-13/h4-7H,1H2,2-3H3
InChIKey
AVJBTJCHKGLXOQ-UHFFFAOYSA-N
Compound name
1-(4,6-dichloro-1,3,5-triazin-2-yl)-3,3-dimethyl-2-methylideneindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.0439 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.05118 167.0
[M+Na]+ 329.03312 180.6
[M-H]- 305.03662 169.3
[M+NH4]+ 324.07772 183.1
[M+K]+ 345.00706 172.7
[M+H-H2O]+ 289.04116 157.7
[M+HCOO]- 351.04210 175.2
[M+CH3COO]- 365.05775 178.3
[M+Na-2H]- 327.01857 169.8
[M]+ 306.04335 170.3
[M]- 306.04445 170.3
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.