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

0
Patents

150.08115 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08843 132.0
[M+Na]+ 173.07037 139.2
[M-H]- 149.07387 132.2
[M+NH4]+ 168.11497 154.3
[M+K]+ 189.04431 137.9
[M+H-H2O]+ 133.07841 128.6
[M+HCOO]- 195.07935 149.3
[M+CH3COO]- 209.09500 177.9
[M+Na-2H]- 171.05582 135.8
[M]+ 150.08060 135.6
[M]- 150.08170 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