CID 1591476

Propyl 4-(2-chloroacetamido)benzoate

Structural Information

Molecular Formula
C12H14ClNO3
SMILES
CCCOC(=O)C1=CC=C(C=C1)NC(=O)CCl
InChI
InChI=1S/C12H14ClNO3/c1-2-7-17-12(16)9-3-5-10(6-4-9)14-11(15)8-13/h3-6H,2,7-8H2,1H3,(H,14,15)
InChIKey
LMCSWUWSJNOMHH-UHFFFAOYSA-N
Compound name
propyl 4-[(2-chloroacetyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.06622 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07350 155.2
[M+Na]+ 278.05544 162.3
[M-H]- 254.05894 158.7
[M+NH4]+ 273.10004 172.8
[M+K]+ 294.02938 159.0
[M+H-H2O]+ 238.06348 149.6
[M+HCOO]- 300.06442 174.5
[M+CH3COO]- 314.08007 194.9
[M+Na-2H]- 276.04089 158.6
[M]+ 255.06567 159.5
[M]- 255.06677 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

No patent data available for this compound.