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
2
Annotation Hits

0
References

156
Patents

186.0003 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.007576 129.7
[M+Na]+ 208.989518 141.0
[M-H]- 184.993024 136.6
[M+NH4]+ 204.034123 147.8
[M+K]+ 224.963458 136.6
[M+H-H2O]+ 168.997560 125.6
[M+HCOO]- 230.998501 145.0
[M+CH3COO]- 245.014151 143.7
[M+Na-2H]- 206.974966 137.6
[M]+ 185.99975142 134.0
[M]- 186.00084858 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

literature stripe

Patent stripe

patents stripe