CID 20339873

2-chloro-4-methyl-1,3,5-triazine

Structural Information

Molecular Formula
C4H4ClN3
SMILES
CC1=NC(=NC=N1)Cl
InChI
InChI=1S/C4H4ClN3/c1-3-6-2-7-4(5)8-3/h2H,1H3
InChIKey
WALTZQPCFRFJHG-UHFFFAOYSA-N
Compound name
2-chloro-4-methyl-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

212
Patents

129.00937 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.016646 119.6
[M+Na]+ 151.998588 130.8
[M-H]- 128.002094 119.3
[M+NH4]+ 147.043193 138.7
[M+K]+ 167.972528 128.0
[M+H-H2O]+ 112.006630 112.7
[M+HCOO]- 174.007571 137.0
[M+CH3COO]- 188.023221 169.6
[M+Na-2H]- 149.984036 129.4
[M]+ 129.00882142 121.2
[M]- 129.00991858 121.2
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