CID 122706615

2-amino-5-chlorophenyl carbonate

Structural Information

Molecular Formula
C7H6ClNO3
SMILES
C1=CC(=C(C=C1Cl)OC(=O)O)N
InChI
InChI=1S/C7H6ClNO3/c8-4-1-2-5(9)6(3-4)12-7(10)11/h1-3H,9H2,(H,10,11)
InChIKey
LHZRHABMHMXATL-UHFFFAOYSA-N
Compound name
(2-amino-5-chlorophenyl) hydrogen carbonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

187.00362 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.010896 133.3
[M+Na]+ 209.992838 142.9
[M-H]- 185.996344 135.9
[M+NH4]+ 205.037443 153.0
[M+K]+ 225.966778 139.7
[M+H-H2O]+ 170.000880 129.1
[M+HCOO]- 232.001821 152.8
[M+CH3COO]- 246.017471 178.5
[M+Na-2H]- 207.978286 138.2
[M]+ 187.00307142 134.6
[M]- 187.00416858 134.6
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

No patent data available for this compound.