CID 670930

313518-19-3

Structural Information

Molecular Formula
C13H10Cl2N4
SMILES
C1=CC=C2C(=C1)N=NN2CNC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C13H10Cl2N4/c14-10-6-5-9(7-11(10)15)16-8-19-13-4-2-1-3-12(13)17-18-19/h1-7,16H,8H2
InChIKey
ZDTOZTJDKRBYLO-UHFFFAOYSA-N
Compound name
N-(benzotriazol-1-ylmethyl)-3,4-dichloroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.02826 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.03554 161.7
[M+Na]+ 315.01748 174.0
[M-H]- 291.02098 165.1
[M+NH4]+ 310.06208 177.2
[M+K]+ 330.99142 166.2
[M+H-H2O]+ 275.02552 152.6
[M+HCOO]- 337.02646 175.3
[M+CH3COO]- 351.04211 173.5
[M+Na-2H]- 313.00293 168.3
[M]+ 292.02771 166.5
[M]- 292.02881 166.5
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.