CID 11771269

Ic87201

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: 9
Patents: 308.02316 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	309.03044	165.4
[M+Na]+	331.01238	181.6
[M+NH4]+	326.05698	173.2
[M+K]+	346.98632	175.0
[M-H]-	307.01588	168.2
[M+Na-2H]-	328.99783	173.2
[M]+	308.02261	169.1
[M]-	308.02371	169.1

Literature stripe

literature stripe

Patent stripe

patents stripe