CID 7131064

871217-93-5

Structural Information

Molecular Formula
C14H14ClNO2
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)CCl
InChI
InChI=1S/C14H14ClNO2/c15-9-14(17)16(11-13-7-4-8-18-13)10-12-5-2-1-3-6-12/h1-8H,9-11H2
InChIKey
ZXUJFKOISSOAHU-UHFFFAOYSA-N
Compound name
N-benzyl-2-chloro-N-(furan-2-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.07132 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.07860 161.1
[M+Na]+ 286.06054 167.7
[M-H]- 262.06404 169.3
[M+NH4]+ 281.10514 178.8
[M+K]+ 302.03448 165.2
[M+H-H2O]+ 246.06858 154.1
[M+HCOO]- 308.06952 181.8
[M+CH3COO]- 322.08517 197.3
[M+Na-2H]- 284.04599 165.1
[M]+ 263.07077 165.6
[M]- 263.07187 165.6
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

No patent data available for this compound.