CID 458980

4-nitrosalicylamidine, hydrochloride

Structural Information

Molecular Formula
C7H7N3O3
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])O)C(=N)N
InChI
InChI=1S/C7H7N3O3/c8-7(9)5-2-1-4(10(12)13)3-6(5)11/h1-3,11H,(H3,8,9)
InChIKey
ILXKTPZAADYHDV-UHFFFAOYSA-N
Compound name
2-hydroxy-4-nitrobenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

181.04874 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.056016 131.8
[M+Na]+ 204.037958 138.4
[M-H]- 180.041464 134.2
[M+NH4]+ 199.082563 149.3
[M+K]+ 220.011898 132.2
[M+H-H2O]+ 164.046000 130.4
[M+HCOO]- 226.046941 157.4
[M+CH3COO]- 240.062591 176.9
[M+Na-2H]- 202.023406 138.5
[M]+ 181.04819142 126.2
[M]- 181.04928858 126.2
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

patents stripe