CID 35010

Phenol, ((4-amino-6-chloro-1,3,5-triazin-2-yl)oxy)-

Structural Information

Molecular Formula
C9H7ClN4O
SMILES
C1=CC=C(C=C1)OC2=NC(=NC(=N2)N)Cl
InChI
InChI=1S/C9H7ClN4O/c10-7-12-8(11)14-9(13-7)15-6-4-2-1-3-5-6/h1-5H,(H2,11,12,13,14)
InChIKey
WMBIZTRJXOXEOG-UHFFFAOYSA-N
Compound name
4-chloro-6-phenoxy-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.03084 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.03812 144.2
[M+Na]+ 245.02006 154.7
[M-H]- 221.02356 146.8
[M+NH4]+ 240.06466 158.7
[M+K]+ 260.99400 149.6
[M+H-H2O]+ 205.02810 135.3
[M+HCOO]- 267.02904 162.1
[M+CH3COO]- 281.04469 156.6
[M+Na-2H]- 243.00551 152.6
[M]+ 222.03029 145.4
[M]- 222.03139 145.4
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.