CID 58795800

1417517-78-2

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]+ 172.063596 135.0
[M+Na]+ 194.045538 145.4
[M-H]- 170.049044 134.8
[M+NH4]+ 189.090143 152.6
[M+K]+ 210.019478 142.2
[M+H-H2O]+ 154.053580 128.1
[M+HCOO]- 216.054521 149.8
[M+CH3COO]- 230.070171 178.3
[M+Na-2H]- 192.030986 143.6
[M]+ 171.05577142 137.1
[M]- 171.05686858 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