CID 107129

(2,2-dichloro-1-methylcyclopropyl)benzene

Structural Information

Molecular Formula
C10H10Cl2
SMILES
CC1(CC1(Cl)Cl)C2=CC=CC=C2
InChI
InChI=1S/C10H10Cl2/c1-9(7-10(9,11)12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey
NXYPRVQXSWVEOB-UHFFFAOYSA-N
Compound name
(2,2-dichloro-1-methylcyclopropyl)benzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

37
Patents

200.01596 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.02324 133.3
[M+Na]+ 223.00518 144.9
[M-H]- 199.00868 140.5
[M+NH4]+ 218.04978 152.7
[M+K]+ 238.97912 141.1
[M+H-H2O]+ 183.01322 130.1
[M+HCOO]- 245.01416 148.1
[M+CH3COO]- 259.02981 147.4
[M+Na-2H]- 220.99063 141.6
[M]+ 200.01541 138.3
[M]- 200.01651 138.3
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