CID 3061593

Brn 5539680

Structural Information

Molecular Formula
C12H10ClNO2
SMILES
CC(=O)N1C2=C(C=CC(=C2)Cl)C(=O)C13CC3
InChI
InChI=1S/C12H10ClNO2/c1-7(15)14-10-6-8(13)2-3-9(10)11(16)12(14)4-5-12/h2-3,6H,4-5H2,1H3
InChIKey
SAGXCEFGSNHAOK-UHFFFAOYSA-N
Compound name
1'-acetyl-6'-chlorospiro[cyclopropane-1,2'-indole]-3'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.04001 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.04729 151.8
[M+Na]+ 258.02923 165.0
[M-H]- 234.03273 158.4
[M+NH4]+ 253.07383 169.8
[M+K]+ 274.00317 159.4
[M+H-H2O]+ 218.03727 147.0
[M+HCOO]- 280.03821 168.1
[M+CH3COO]- 294.05386 165.1
[M+Na-2H]- 256.01468 155.8
[M]+ 235.03946 157.1
[M]- 235.04056 157.1
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.