CID 170877

3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)oxy]phenol

Structural Information

Molecular Formula
C9H7ClN4O2
SMILES
C1=CC(=CC(=C1)OC2=NC(=NC(=N2)N)Cl)O
InChI
InChI=1S/C9H7ClN4O2/c10-7-12-8(11)14-9(13-7)16-6-3-1-2-5(15)4-6/h1-4,15H,(H2,11,12,13,14)
InChIKey
GJZDKVVLCRMNJK-UHFFFAOYSA-N
Compound name
3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)oxy]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

238.02576 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.03304 147.7
[M+Na]+ 261.01498 158.6
[M-H]- 237.01848 149.4
[M+NH4]+ 256.05958 161.1
[M+K]+ 276.98892 153.3
[M+H-H2O]+ 221.02302 139.3
[M+HCOO]- 283.02396 164.4
[M+CH3COO]- 297.03961 159.7
[M+Na-2H]- 259.00043 154.9
[M]+ 238.02521 149.0
[M]- 238.02631 149.0
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