CID 11771269

866927-10-8

Structural Information

Molecular Formula
C13H10Cl2N4O
SMILES
C1=CC2=NNN=C2C=C1NCC3=C(C(=CC(=C3)Cl)Cl)O
InChI
InChI=1S/C13H10Cl2N4O/c14-8-3-7(13(20)10(15)4-8)6-16-9-1-2-11-12(5-9)18-19-17-11/h1-5,16,20H,6H2,(H,17,18,19)
InChIKey
QEHVTUCLCBXQIC-UHFFFAOYSA-N
Compound name
2-[(2H-benzotriazol-5-ylamino)methyl]-4,6-dichlorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

12
Patents

308.02316 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.03044 164.2
[M+Na]+ 331.01238 176.4
[M-H]- 307.01588 165.6
[M+NH4]+ 326.05698 178.0
[M+K]+ 346.98632 167.8
[M+H-H2O]+ 291.02042 156.3
[M+HCOO]- 353.02136 175.2
[M+CH3COO]- 367.03701 175.1
[M+Na-2H]- 328.99783 169.5
[M]+ 308.02261 167.3
[M]- 308.02371 167.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe