CID 95349

2415-80-7

Structural Information

Molecular Formula
C9H8Cl2
SMILES
C1C(C1(Cl)Cl)C2=CC=CC=C2
InChI
InChI=1S/C9H8Cl2/c10-9(11)6-8(9)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey
WLWFQGXZIDYWQF-UHFFFAOYSA-N
Compound name
(2,2-dichlorocyclopropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

186.0003 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.00758 129.7
[M+Na]+ 208.98952 141.0
[M-H]- 184.99302 136.6
[M+NH4]+ 204.03412 147.8
[M+K]+ 224.96346 136.6
[M+H-H2O]+ 168.99756 125.6
[M+HCOO]- 230.99850 145.0
[M+CH3COO]- 245.01415 143.7
[M+Na-2H]- 206.97497 137.6
[M]+ 185.99975 134.0
[M]- 186.00085 134.0
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

No patent data available for this compound.