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

157
Patents

129.00937 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.01665 119.6
[M+Na]+ 151.99859 130.8
[M-H]- 128.00209 119.3
[M+NH4]+ 147.04319 138.7
[M+K]+ 167.97253 128.0
[M+H-H2O]+ 112.00663 112.7
[M+HCOO]- 174.00757 137.0
[M+CH3COO]- 188.02322 169.6
[M+Na-2H]- 149.98404 129.4
[M]+ 129.00882 121.2
[M]- 129.00992 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