CID 3061592

Brn 5745517

Structural Information

Molecular Formula
C12H10INO2
SMILES
CC(=O)N1C2=C(C=C(C=C2)I)C(=O)C13CC3
InChI
InChI=1S/C12H10INO2/c1-7(15)14-10-3-2-8(13)6-9(10)11(16)12(14)4-5-12/h2-3,6H,4-5H2,1H3
InChIKey
OXGFSNJSDOPEPE-UHFFFAOYSA-N
Compound name
1'-acetyl-5'-iodospiro[cyclopropane-1,2'-indole]-3'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.97562 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.98290 151.1
[M+Na]+ 349.96484 156.6
[M-H]- 325.96834 151.0
[M+NH4]+ 345.00944 164.3
[M+K]+ 365.93878 158.1
[M+H-H2O]+ 309.97288 142.5
[M+HCOO]- 371.97382 167.0
[M+CH3COO]- 385.98947 198.7
[M+Na-2H]- 347.95029 144.6
[M]+ 326.97507 152.2
[M]- 326.97617 152.2
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.