CID 149668

104766-03-2

Structural Information

Molecular Formula
C9H7Cl2N5O
SMILES
C1=CC(=C(C=C1Cl)C2=NC(=N)N(C(=N2)N)O)Cl
InChI
InChI=1S/C9H7Cl2N5O/c10-4-1-2-6(11)5(3-4)7-14-8(12)16(17)9(13)15-7/h1-3,17H,(H3,12,13,14,15)
InChIKey
UZRHHBIKNCZGGJ-UHFFFAOYSA-N
Compound name
4-(2,5-dichlorophenyl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.00278 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.01006 156.0
[M+Na]+ 293.99200 168.4
[M-H]- 269.99550 157.6
[M+NH4]+ 289.03660 168.8
[M+K]+ 309.96594 161.0
[M+H-H2O]+ 254.00004 148.5
[M+HCOO]- 316.00098 168.4
[M+CH3COO]- 330.01663 167.3
[M+Na-2H]- 291.97745 161.0
[M]+ 271.00223 156.4
[M]- 271.00333 156.4
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.