CID 3058664

75463-39-7

Structural Information

Molecular Formula
C14H16ClNO
SMILES
C1CC2=CC3=C(C=C2C1)C(CC3)NC(=O)CCl
InChI
InChI=1S/C14H16ClNO/c15-8-14(17)16-13-5-4-11-6-9-2-1-3-10(9)7-12(11)13/h6-7,13H,1-5,8H2,(H,16,17)
InChIKey
CSQLKECBJSJIKI-UHFFFAOYSA-N
Compound name
2-chloro-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.09204 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.099316 159.5
[M+Na]+ 272.081258 167.1
[M-H]- 248.084764 164.4
[M+NH4]+ 267.125863 182.9
[M+K]+ 288.055198 161.5
[M+H-H2O]+ 232.089300 154.7
[M+HCOO]- 294.090241 176.4
[M+CH3COO]- 308.105891 171.6
[M+Na-2H]- 270.066706 161.0
[M]+ 249.09149142 159.4
[M]- 249.09258858 159.4
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.