CID 75188

2216-63-9

Structural Information

Molecular Formula
C10H11Cl
SMILES
CC1=C2CCCC2=C(C=C1)Cl
InChI
InChI=1S/C10H11Cl/c1-7-5-6-10(11)9-4-2-3-8(7)9/h5-6H,2-4H2,1H3
InChIKey
NTFHYNQQJUEULI-UHFFFAOYSA-N
Compound name
4-chloro-7-methyl-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

166.05493 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06221 133.6
[M+Na]+ 189.04415 143.8
[M-H]- 165.04765 138.3
[M+NH4]+ 184.08875 158.5
[M+K]+ 205.01809 139.1
[M+H-H2O]+ 149.05219 129.5
[M+HCOO]- 211.05313 152.5
[M+CH3COO]- 225.06878 148.3
[M+Na-2H]- 187.02960 139.0
[M]+ 166.05438 134.6
[M]- 166.05548 134.6
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