CID 135438601

38862-29-2

Structural Information

Molecular Formula
C3H3ClN4O
SMILES
C1(=NC(=O)NC(=N1)Cl)N
InChI
InChI=1S/C3H3ClN4O/c4-1-6-2(5)8-3(9)7-1/h(H3,5,6,7,8,9)
InChIKey
GHCVXTFBVDVFGE-UHFFFAOYSA-N
Compound name
4-amino-6-chloro-1H-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

1461
Patents

145.99954 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.00682 123.6
[M+Na]+ 168.98876 135.2
[M-H]- 144.99226 122.2
[M+NH4]+ 164.03336 140.9
[M+K]+ 184.96270 130.9
[M+H-H2O]+ 128.99680 117.2
[M+HCOO]- 190.99774 140.7
[M+CH3COO]- 205.01339 170.5
[M+Na-2H]- 166.97421 131.8
[M]+ 145.99899 122.4
[M]- 146.00009 122.4
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

No patent data available for this compound.