CID 35377

Butyric acid, 4-(n-(m-chlorophenyl)acetamido)-

Structural Information

Molecular Formula
C12H14ClNO3
SMILES
CC(=O)N(CCCC(=O)O)C1=CC(=CC=C1)Cl
InChI
InChI=1S/C12H14ClNO3/c1-9(15)14(7-3-6-12(16)17)11-5-2-4-10(13)8-11/h2,4-5,8H,3,6-7H2,1H3,(H,16,17)
InChIKey
WBPKBWRYABHDIG-UHFFFAOYSA-N
Compound name
4-(N-acetyl-3-chloroanilino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

255.06622 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07350 154.8
[M+Na]+ 278.05544 161.6
[M-H]- 254.05894 158.3
[M+NH4]+ 273.10004 172.3
[M+K]+ 294.02938 158.7
[M+H-H2O]+ 238.06348 149.3
[M+HCOO]- 300.06442 173.1
[M+CH3COO]- 314.08007 196.4
[M+Na-2H]- 276.04089 157.0
[M]+ 255.06567 158.6
[M]- 255.06677 158.6
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