CID 680956

719282-11-8

Structural Information

Molecular Formula
C9H8ClNO3
SMILES
CC(=O)NC1=CC(=C(C=C1)Cl)C(=O)O
InChI
InChI=1S/C9H8ClNO3/c1-5(12)11-6-2-3-8(10)7(4-6)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
InChIKey
AMOFQIUOTAJRKS-UHFFFAOYSA-N
Compound name
5-acetamido-2-chlorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

213.01927 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02655 141.7
[M+Na]+ 236.00849 153.4
[M+NH4]+ 231.05309 148.8
[M+K]+ 251.98243 148.6
[M-H]- 212.01199 142.5
[M+Na-2H]- 233.99394 146.9
[M]+ 213.01872 143.6
[M]- 213.01982 143.6
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

patents stripe