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

61
Patents

172.04034 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.04762 133.4
[M+Na]+ 195.02956 143.5
[M-H]- 171.03306 137.0
[M+NH4]+ 190.07416 154.3
[M+K]+ 211.00350 139.8
[M+H-H2O]+ 155.03760 128.9
[M+HCOO]- 217.03854 155.0
[M+CH3COO]- 231.05419 183.1
[M+Na-2H]- 193.01501 138.3
[M]+ 172.03979 133.6
[M]- 172.04089 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