CID 11228850

2-chloro-2-methylpropanoyl chloride

Structural Information

Molecular Formula
C4H6Cl2O
SMILES
CC(C)(C(=O)Cl)Cl
InChI
InChI=1S/C4H6Cl2O/c1-4(2,6)3(5)7/h1-2H3
InChIKey
DTZKVZKYSZUBAG-UHFFFAOYSA-N
Compound name
2-chloro-2-methylpropanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

487
Patents

139.97957 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.98685 121.6
[M+Na]+ 162.96879 131.3
[M-H]- 138.97229 122.1
[M+NH4]+ 158.01339 144.7
[M+K]+ 178.94273 128.4
[M+H-H2O]+ 122.97683 120.1
[M+HCOO]- 184.97777 134.5
[M+CH3COO]- 198.99342 172.3
[M+Na-2H]- 160.95424 128.2
[M]+ 139.97902 124.3
[M]- 139.98012 124.3
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

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