CID 2256

Atrazine

Structural Information

Molecular Formula
C8H14ClN5
SMILES
CCNC1=NC(=NC(=N1)Cl)NC(C)C
InChI
InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)
InChIKey
MXWJVTOOROXGIU-UHFFFAOYSA-N
Compound name
6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

3705
References

53166
Patents

215.09378 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10106 146.0
[M+Na]+ 238.08300 158.0
[M+NH4]+ 233.12760 152.9
[M+K]+ 254.05694 152.1
[M-H]- 214.08650 147.1
[M+Na-2H]- 236.06845 152.2
[M]+ 215.09323 148.0
[M]- 215.09433 148.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe