CID 162345121

Ns00132948

Structural Information

Molecular Formula
C13H12BrN3
SMILES
C1=CC=C(C=C1)N=C(N)NC2=CC(=CC=C2)Br
InChI
InChI=1S/C13H12BrN3/c14-10-5-4-8-12(9-10)17-13(15)16-11-6-2-1-3-7-11/h1-9H,(H3,15,16,17)
InChIKey
FGUWANGZLPBVEQ-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)-2-phenylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.02145 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.028726 156.7
[M+Na]+ 312.010668 165.2
[M-H]- 288.014174 166.1
[M+NH4]+ 307.055273 174.9
[M+K]+ 327.984608 152.8
[M+H-H2O]+ 272.018710 153.7
[M+HCOO]- 334.019651 181.4
[M+CH3COO]- 348.035301 204.5
[M+Na-2H]- 309.996116 164.4
[M]+ 289.02090142 171.6
[M]- 289.02199858 171.6
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.