CID 16227398

4-(carbamoylmethoxy)-3-chloro-5-methoxybenzoic acid

Structural Information

Molecular Formula
C10H10ClNO5
SMILES
COC1=C(C(=CC(=C1)C(=O)O)Cl)OCC(=O)N
InChI
InChI=1S/C10H10ClNO5/c1-16-7-3-5(10(14)15)2-6(11)9(7)17-4-8(12)13/h2-3H,4H2,1H3,(H2,12,13)(H,14,15)
InChIKey
HUTQUCJPTHQNMR-UHFFFAOYSA-N
Compound name
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.02475 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.03203 149.9
[M+Na]+ 282.01397 158.8
[M-H]- 258.01747 152.5
[M+NH4]+ 277.05857 166.6
[M+K]+ 297.98791 156.2
[M+H-H2O]+ 242.02201 145.1
[M+HCOO]- 304.02295 168.1
[M+CH3COO]- 318.03860 194.1
[M+Na-2H]- 279.99942 151.6
[M]+ 259.02420 154.4
[M]- 259.02530 154.4
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.