CID 69277451

3,4-diamino-2-chlorophenol

Structural Information

Molecular Formula
C6H7ClN2O
SMILES
C1=CC(=C(C(=C1N)N)Cl)O
InChI
InChI=1S/C6H7ClN2O/c7-5-4(10)2-1-3(8)6(5)9/h1-2,10H,8-9H2
InChIKey
MDBJJUGZMDAIGD-UHFFFAOYSA-N
Compound name
3,4-diamino-2-chlorophenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

4
Patents

158.02469 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.03197 129.2
[M+Na]+ 181.01391 139.4
[M-H]- 157.01741 131.6
[M+NH4]+ 176.05851 149.9
[M+K]+ 196.98785 135.0
[M+H-H2O]+ 141.02195 125.2
[M+HCOO]- 203.02289 149.7
[M+CH3COO]- 217.03854 177.6
[M+Na-2H]- 178.99936 134.2
[M]+ 158.02414 127.2
[M]- 158.02524 127.2
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.