CID 11321060

30494-32-7

Structural Information

Molecular Formula
C5H6Cl2O
SMILES
C1C(CC1Cl)C(=O)Cl
InChI
InChI=1S/C5H6Cl2O/c6-4-1-3(2-4)5(7)8/h3-4H,1-2H2
InChIKey
KUUURPZQDCCCKB-UHFFFAOYSA-N
Compound name
3-chlorocyclobutane-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

151.97957 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.98685 117.9
[M+Na]+ 174.96879 126.5
[M-H]- 150.97229 121.0
[M+NH4]+ 170.01339 134.2
[M+K]+ 190.94273 125.7
[M+H-H2O]+ 134.97683 110.9
[M+HCOO]- 196.97777 130.8
[M+CH3COO]- 210.99342 177.6
[M+Na-2H]- 172.95424 123.1
[M]+ 151.97902 127.7
[M]- 151.98012 127.7
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