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]+ 250.09932 159.5
[M+Na]+ 272.08126 167.1
[M-H]- 248.08476 164.4
[M+NH4]+ 267.12586 182.9
[M+K]+ 288.05520 161.5
[M+H-H2O]+ 232.08930 154.7
[M+HCOO]- 294.09024 176.4
[M+CH3COO]- 308.10589 171.6
[M+Na-2H]- 270.06671 161.0
[M]+ 249.09149 159.4
[M]- 249.09259 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.