CID 94465

1-chloro-2,3-dihydro-1h-indene

Structural Information

Molecular Formula
C9H9Cl
SMILES
C1CC2=CC=CC=C2C1Cl
InChI
InChI=1S/C9H9Cl/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6H2
InChIKey
WLJXUWKOEVKMGD-UHFFFAOYSA-N
Compound name
1-chloro-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

325
Patents

152.03928 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.046556 129.3
[M+Na]+ 175.028498 139.0
[M-H]- 151.032004 133.8
[M+NH4]+ 170.073103 154.4
[M+K]+ 191.002438 134.6
[M+H-H2O]+ 135.036540 125.1
[M+HCOO]- 197.037481 148.5
[M+CH3COO]- 211.053131 144.0
[M+Na-2H]- 173.013946 135.9
[M]+ 152.03873142 129.6
[M]- 152.03982858 129.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe