CID 22291441

503555-96-2

Structural Information

Molecular Formula
C12H14ClNO4
SMILES
CC(C)(C)OC(=O)NC1=CC(=C(C=C1)Cl)C(=O)O
InChI
InChI=1S/C12H14ClNO4/c1-12(2,3)18-11(17)14-7-4-5-9(13)8(6-7)10(15)16/h4-6H,1-3H3,(H,14,17)(H,15,16)
InChIKey
QNRXWUBPCIBQMX-UHFFFAOYSA-N
Compound name
2-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

271.06113 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.06841 158.2
[M+Na]+ 294.05035 168.5
[M+NH4]+ 289.09495 164.0
[M+K]+ 310.02429 164.8
[M-H]- 270.05385 157.7
[M+Na-2H]- 292.03580 162.1
[M]+ 271.06058 159.5
[M]- 271.06168 159.5
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