CID 16774586

3-chloro-n'-hydroxy-4,5-dimethoxybenzene-1-carboximidamide

Structural Information

Molecular Formula
C9H11ClN2O3
SMILES
COC1=C(C(=CC(=C1)/C(=N/O)/N)Cl)OC
InChI
InChI=1S/C9H11ClN2O3/c1-14-7-4-5(9(11)12-13)3-6(10)8(7)15-2/h3-4,13H,1-2H3,(H2,11,12)
InChIKey
WLKRZZMZLQWUCX-UHFFFAOYSA-N
Compound name
3-chloro-N'-hydroxy-4,5-dimethoxybenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.04582 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.05310 146.7
[M+Na]+ 253.03504 155.8
[M-H]- 229.03854 150.6
[M+NH4]+ 248.07964 165.3
[M+K]+ 269.00898 153.1
[M+H-H2O]+ 213.04308 141.5
[M+HCOO]- 275.04402 168.0
[M+CH3COO]- 289.05967 193.4
[M+Na-2H]- 251.02049 150.5
[M]+ 230.04527 150.2
[M]- 230.04637 150.2
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

No patent data available for this compound.