CID 14651092

2-chloro-4-[(dimethylcarbamoyl)amino]benzoic acid

Structural Information

Molecular Formula
C10H11ClN2O3
SMILES
CN(C)C(=O)NC1=CC(=C(C=C1)C(=O)O)Cl
InChI
InChI=1S/C10H11ClN2O3/c1-13(2)10(16)12-6-3-4-7(9(14)15)8(11)5-6/h3-5H,1-2H3,(H,12,16)(H,14,15)
InChIKey
RXKVDCNQFKONLD-UHFFFAOYSA-N
Compound name
2-chloro-4-(dimethylcarbamoylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

0
Patents

242.04582 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.05310 150.1
[M+Na]+ 265.03504 157.8
[M-H]- 241.03854 154.4
[M+NH4]+ 260.07964 168.1
[M+K]+ 281.00898 155.6
[M+H-H2O]+ 225.04308 144.9
[M+HCOO]- 287.04402 170.1
[M+CH3COO]- 301.05967 196.1
[M+Na-2H]- 263.02049 152.9
[M]+ 242.04527 152.7
[M]- 242.04637 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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