CID 12700071

74492-46-9

Structural Information

Molecular Formula
C10H10ClNO
SMILES
CC1(C2=C(C=CC(=C2)Cl)NC1=O)C
InChI
InChI=1S/C10H10ClNO/c1-10(2)7-5-6(11)3-4-8(7)12-9(10)13/h3-5H,1-2H3,(H,12,13)
InChIKey
IGGUFOCFQMEIGO-UHFFFAOYSA-N
Compound name
5-chloro-3,3-dimethyl-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

195.04509 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.052366 138.6
[M+Na]+ 218.034308 150.4
[M-H]- 194.037814 141.3
[M+NH4]+ 213.078913 162.5
[M+K]+ 234.008248 144.9
[M+H-H2O]+ 178.042350 134.5
[M+HCOO]- 240.043291 155.1
[M+CH3COO]- 254.058941 180.0
[M+Na-2H]- 216.019756 144.0
[M]+ 195.04454142 139.7
[M]- 195.04563858 139.7
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

patents stripe