CID 12432033

1-chloro-4-(4-chlorophenyl)butan-2-ol

Structural Information

Molecular Formula
C10H12Cl2O
SMILES
C1=CC(=CC=C1CCC(CCl)O)Cl
InChI
InChI=1S/C10H12Cl2O/c11-7-10(13)6-3-8-1-4-9(12)5-2-8/h1-2,4-5,10,13H,3,6-7H2
InChIKey
VMGHYAYPTGFWEV-UHFFFAOYSA-N
Compound name
1-chloro-4-(4-chlorophenyl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

218.02652 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.03380 143.1
[M+Na]+ 241.01574 151.5
[M-H]- 217.01924 144.5
[M+NH4]+ 236.06034 162.4
[M+K]+ 256.98968 145.8
[M+H-H2O]+ 201.02378 139.4
[M+HCOO]- 263.02472 155.4
[M+CH3COO]- 277.04037 184.3
[M+Na-2H]- 239.00119 147.2
[M]+ 218.02597 145.7
[M]- 218.02707 145.7
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