CID 22477896

4-chloro-5-methoxybenzene-1,2-diamine

Structural Information

Molecular Formula
C7H9ClN2O
SMILES
COC1=C(C=C(C(=C1)N)N)Cl
InChI
InChI=1S/C7H9ClN2O/c1-11-7-3-6(10)5(9)2-4(7)8/h2-3H,9-10H2,1H3
InChIKey
NYNSGFOMPNKBGG-UHFFFAOYSA-N
Compound name
4-chloro-5-methoxybenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

172.04034 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.047616 133.4
[M+Na]+ 195.029558 143.5
[M-H]- 171.033064 137.0
[M+NH4]+ 190.074163 154.3
[M+K]+ 211.003498 139.8
[M+H-H2O]+ 155.037600 128.9
[M+HCOO]- 217.038541 155.0
[M+CH3COO]- 231.054191 183.1
[M+Na-2H]- 193.015006 138.3
[M]+ 172.03979142 133.6
[M]- 172.04088858 133.6
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