CID 20322

P-nitrophenylbiguanide

Structural Information

Molecular Formula
C8H10N6O2
SMILES
C1=CC(=CC=C1N=C(N)N=C(N)N)[N+](=O)[O-]
InChI
InChI=1S/C8H10N6O2/c9-7(10)13-8(11)12-5-1-3-6(4-2-5)14(15)16/h1-4H,(H6,9,10,11,12,13)
InChIKey
BRGSYTBCYKKSBQ-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-2-(4-nitrophenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

93
Patents

222.08652 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09380 141.1
[M+Na]+ 245.07574 145.2
[M-H]- 221.07924 146.0
[M+NH4]+ 240.12034 157.0
[M+K]+ 261.04968 140.6
[M+H-H2O]+ 205.08378 137.4
[M+HCOO]- 267.08472 171.3
[M+CH3COO]- 281.10037 196.4
[M+Na-2H]- 243.06119 147.4
[M]+ 222.08597 133.8
[M]- 222.08707 133.8
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.