CID 521297

Tert-butyl hypochlorite

Structural Information

Molecular Formula
C4H9ClO
SMILES
CC(C)(C)OCl
InChI
InChI=1S/C4H9ClO/c1-4(2,3)6-5/h1-3H3
InChIKey
IXZDIALLLMRYOU-UHFFFAOYSA-N
Compound name
tert-butyl hypochlorite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

10893
Patents

108.034195 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.04147 117.8
[M+Na]+ 131.02341 127.2
[M-H]- 107.02692 118.8
[M+NH4]+ 126.06802 142.1
[M+K]+ 146.99735 126.3
[M+H-H2O]+ 91.031455 115.5
[M+HCOO]- 153.03240 136.5
[M+CH3COO]- 167.04805 166.8
[M+Na-2H]- 129.00886 126.3
[M]+ 108.03365 121.0
[M]- 108.03474 121.0
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