CID 836198

N-(1h-benzotriazol-1-ylmethyl)-2-bromoaniline

Structural Information

Molecular Formula
C13H11BrN4
SMILES
C1=CC=C2C(=C1)N=NN2CNC3=CC=CC=C3Br
InChI
InChI=1S/C13H11BrN4/c14-10-5-1-2-6-11(10)15-9-18-13-8-4-3-7-12(13)16-17-18/h1-8,15H,9H2
InChIKey
QBMHKFPVVNRQMI-UHFFFAOYSA-N
Compound name
N-(benzotriazol-1-ylmethyl)-2-bromoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.01672 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.02400 163.0
[M+Na]+ 325.00594 168.6
[M+NH4]+ 320.05054 167.8
[M+K]+ 340.97988 168.0
[M-H]- 301.00944 165.2
[M+Na-2H]- 322.99139 168.7
[M]+ 302.01617 163.3
[M]- 302.01727 163.3
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.