CID 145887933

1427404-27-0

Structural Information

Molecular Formula
C12H14ClNO3
SMILES
COC1=C(C=C2C(=C1)CCN2C(=O)CCl)OC
InChI
InChI=1S/C12H14ClNO3/c1-16-10-5-8-3-4-14(12(15)7-13)9(8)6-11(10)17-2/h5-6H,3-4,7H2,1-2H3
InChIKey
VKDCSZFVYAIHPK-UHFFFAOYSA-N
Compound name
2-chloro-1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

255.06622 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07350 153.1
[M+Na]+ 278.05544 165.5
[M+NH4]+ 273.10004 161.1
[M+K]+ 294.02938 161.0
[M-H]- 254.05894 153.8
[M+Na-2H]- 276.04089 157.0
[M]+ 255.06567 155.2
[M]- 255.06677 155.2
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

patents stripe