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]+ 231.053096 146.7
[M+Na]+ 253.035038 155.8
[M-H]- 229.038544 150.6
[M+NH4]+ 248.079643 165.3
[M+K]+ 269.008978 153.1
[M+H-H2O]+ 213.043080 141.5
[M+HCOO]- 275.044021 168.0
[M+CH3COO]- 289.059671 193.4
[M+Na-2H]- 251.020486 150.5
[M]+ 230.04527142 150.2
[M]- 230.04636858 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.