CID 6550

3,3-bis(chloromethyl)oxetane

Structural Information

Molecular Formula
C5H8Cl2O
SMILES
C1C(CO1)(CCl)CCl
InChI
InChI=1S/C5H8Cl2O/c6-1-5(2-7)3-8-4-5/h1-4H2
InChIKey
CXURGFRDGROIKG-UHFFFAOYSA-N
Compound name
3,3-bis(chloromethyl)oxetane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

10149
Patents

153.99522 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.00250 116.6
[M+Na]+ 176.98444 125.0
[M-H]- 152.98794 120.2
[M+NH4]+ 172.02904 133.4
[M+K]+ 192.95838 125.4
[M+H-H2O]+ 136.99248 110.5
[M+HCOO]- 198.99342 129.4
[M+CH3COO]- 213.00907 176.1
[M+Na-2H]- 174.96989 125.8
[M]+ 153.99467 128.0
[M]- 153.99577 128.0
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