CID 132398693

4-iodo-3,3-dimethylbutanoyl chloride

Structural Information

Molecular Formula
C6H10ClIO
SMILES
CC(C)(CC(=O)Cl)CI
InChI
InChI=1S/C6H10ClIO/c1-6(2,4-8)3-5(7)9/h3-4H2,1-2H3
InChIKey
KVGHBDNFIVTHQE-UHFFFAOYSA-N
Compound name
4-iodo-3,3-dimethylbutanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.9465 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.953776 139.0
[M+Na]+ 282.935718 140.3
[M-H]- 258.939224 132.9
[M+NH4]+ 277.980323 156.2
[M+K]+ 298.909658 144.0
[M+H-H2O]+ 242.943760 132.4
[M+HCOO]- 304.944701 151.3
[M+CH3COO]- 318.960351 185.0
[M+Na-2H]- 280.921166 132.5
[M]+ 259.94595142 139.2
[M]- 259.94704858 139.2
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

No patent data available for this compound.