CID 2788414

3-chloro-n-(oxolan-2-ylmethyl)benzamide

Structural Information

Molecular Formula
C12H14ClNO2
SMILES
C1CC(OC1)CNC(=O)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C12H14ClNO2/c13-10-4-1-3-9(7-10)12(15)14-8-11-5-2-6-16-11/h1,3-4,7,11H,2,5-6,8H2,(H,14,15)
InChIKey
UEUFPGFWHHTRJD-UHFFFAOYSA-N
Compound name
3-chloro-N-(oxolan-2-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0713 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.07858 154.1
[M+Na]+ 262.06052 160.3
[M-H]- 238.06402 160.8
[M+NH4]+ 257.10512 172.4
[M+K]+ 278.03446 157.3
[M+H-H2O]+ 222.06856 148.0
[M+HCOO]- 284.06950 172.1
[M+CH3COO]- 298.08515 189.8
[M+Na-2H]- 260.04597 157.4
[M]+ 239.07075 154.2
[M]- 239.07185 154.2
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.