CID 17819867

6-chloro-1h-indene

Structural Information

Molecular Formula
C9H7Cl
SMILES
C1C=CC2=C1C=C(C=C2)Cl
InChI
InChI=1S/C9H7Cl/c10-9-5-4-7-2-1-3-8(7)6-9/h1-2,4-6H,3H2
InChIKey
XDBIANUEJXHUHN-UHFFFAOYSA-N
Compound name
6-chloro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

150.02362 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.03090 127.4
[M+Na]+ 173.01284 138.1
[M-H]- 149.01634 132.3
[M+NH4]+ 168.05744 152.6
[M+K]+ 188.98678 133.5
[M+H-H2O]+ 133.02088 123.2
[M+HCOO]- 195.02182 148.0
[M+CH3COO]- 209.03747 142.7
[M+Na-2H]- 170.99829 135.0
[M]+ 150.02307 129.2
[M]- 150.02417 129.2
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