CID 29665

Biguanide, 1-(p-bromophenyl)-, monohydrochloride

Structural Information

Molecular Formula
C8H10BrN5
SMILES
C1=CC(=CC=C1N=C(N)N=C(N)N)Br
InChI
InChI=1S/C8H10BrN5/c9-5-1-3-6(4-2-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
InChIKey
GVZIHTVADXTMQR-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-1-(diaminomethylidene)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

42
Patents

255.01196 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.01924 146.7
[M+Na]+ 278.00118 154.7
[M-H]- 254.00468 153.6
[M+NH4]+ 273.04578 165.6
[M+K]+ 293.97512 143.2
[M+H-H2O]+ 238.00922 142.4
[M+HCOO]- 300.01016 172.5
[M+CH3COO]- 314.02581 204.9
[M+Na-2H]- 275.98663 151.9
[M]+ 255.01141 158.7
[M]- 255.01251 158.7
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