CID 58795800

2-tert-butyl-4-chloro-1,3,5-triazine

Structural Information

Molecular Formula
C7H10ClN3
SMILES
CC(C)(C)C1=NC(=NC=N1)Cl
InChI
InChI=1S/C7H10ClN3/c1-7(2,3)5-9-4-10-6(8)11-5/h4H,1-3H3
InChIKey
IORDUCIBYMFXQP-UHFFFAOYSA-N
Compound name
2-tert-butyl-4-chloro-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

171.05632 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.06360 135.0
[M+Na]+ 194.04554 145.4
[M-H]- 170.04904 134.8
[M+NH4]+ 189.09014 152.6
[M+K]+ 210.01948 142.2
[M+H-H2O]+ 154.05358 128.1
[M+HCOO]- 216.05452 149.8
[M+CH3COO]- 230.07017 178.3
[M+Na-2H]- 192.03099 143.6
[M]+ 171.05577 137.1
[M]- 171.05687 137.1
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