CID 97935

1-chloro-4-(3-chloro-1-methoxypropyl)benzene

Structural Information

Molecular Formula
C10H12Cl2O
SMILES
COC(CCCl)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H12Cl2O/c1-13-10(6-7-11)8-2-4-9(12)5-3-8/h2-5,10H,6-7H2,1H3
InChIKey
WEMSZIUGMVBXTP-UHFFFAOYSA-N
Compound name
1-chloro-4-(3-chloro-1-methoxypropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

218.02652 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.03380 143.0
[M+Na]+ 241.01574 157.6
[M+NH4]+ 236.06034 152.6
[M+K]+ 256.98968 149.3
[M-H]- 217.01924 145.6
[M+Na-2H]- 239.00119 150.6
[M]+ 218.02597 146.5
[M]- 218.02707 146.5
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