CID 16244637

3-chloro-1ah,6h,6ah-indeno[1,2-b]oxirene

Structural Information

Molecular Formula
C9H7ClO
SMILES
C1C2C(O2)C3=C1C=CC(=C3)Cl
InChI
InChI=1S/C9H7ClO/c10-6-2-1-5-3-8-9(11-8)7(5)4-6/h1-2,4,8-9H,3H2
InChIKey
FXFBGEDPBBRUFN-UHFFFAOYSA-N
Compound name
3-chloro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

400
Patents

166.01854 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.02582 129.3
[M+Na]+ 189.00776 142.5
[M-H]- 165.01126 136.5
[M+NH4]+ 184.05236 148.8
[M+K]+ 204.98170 138.6
[M+H-H2O]+ 149.01580 125.0
[M+HCOO]- 211.01674 147.3
[M+CH3COO]- 225.03239 144.4
[M+Na-2H]- 186.99321 137.9
[M]+ 166.01799 135.5
[M]- 166.01909 135.5
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