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

489
Patents

166.01854 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.025816 129.3
[M+Na]+ 189.007758 142.5
[M-H]- 165.011264 136.5
[M+NH4]+ 184.052363 148.8
[M+K]+ 204.981698 138.6
[M+H-H2O]+ 149.015800 125.0
[M+HCOO]- 211.016741 147.3
[M+CH3COO]- 225.032391 144.4
[M+Na-2H]- 186.993206 137.9
[M]+ 166.01799142 135.5
[M]- 166.01908858 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