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 142.8
[M+Na]+ 241.01574 151.6
[M-H]- 217.01924 145.7
[M+NH4]+ 236.06034 162.8
[M+K]+ 256.98968 146.9
[M+H-H2O]+ 201.02378 138.8
[M+HCOO]- 263.02472 156.6
[M+CH3COO]- 277.04037 186.9
[M+Na-2H]- 239.00119 147.4
[M]+ 218.02597 147.3
[M]- 218.02707 147.3
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