CID 17613

3-chlorobutyl isopropyl ether

Structural Information

Molecular Formula
C7H15ClO
SMILES
CC(C)OCCC(C)Cl
InChI
InChI=1S/C7H15ClO/c1-6(2)9-5-4-7(3)8/h6-7H,4-5H2,1-3H3
InChIKey
BSINTXBUDUXQLI-UHFFFAOYSA-N
Compound name
3-chloro-1-propan-2-yloxybutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

150.08115 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.088426 132.0
[M+Na]+ 173.070368 139.2
[M-H]- 149.073874 132.2
[M+NH4]+ 168.114973 154.3
[M+K]+ 189.044308 137.9
[M+H-H2O]+ 133.078410 128.6
[M+HCOO]- 195.079351 149.3
[M+CH3COO]- 209.095001 177.9
[M+Na-2H]- 171.055816 135.8
[M]+ 150.08060142 135.6
[M]- 150.08169858 135.6
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