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]+ 188.01090 133.3
[M+Na]+ 209.99284 142.9
[M-H]- 185.99634 135.9
[M+NH4]+ 205.03744 153.0
[M+K]+ 225.96678 139.7
[M+H-H2O]+ 170.00088 129.1
[M+HCOO]- 232.00182 152.8
[M+CH3COO]- 246.01747 178.5
[M+Na-2H]- 207.97829 138.2
[M]+ 187.00307 134.6
[M]- 187.00417 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.