CID 6367

Acetyl chloride

Structural Information

Molecular Formula
C2H3ClO
SMILES
CC(=O)Cl
InChI
InChI=1S/C2H3ClO/c1-2(3)4/h1H3
InChIKey
WETWJCDKMRHUPV-UHFFFAOYSA-N
Compound name
acetyl chloride
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

247
References

15185
Patents

77.98724 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 78.994516 106.8
[M+Na]+ 100.97646 116.5
[M-H]- 76.979964 107.8
[M+NH4]+ 96.021063 131.9
[M+K]+ 116.95040 115.6
[M+H-H2O]+ 60.984500 104.4
[M+HCOO]- 122.98544 126.9
[M+CH3COO]- 137.00109 161.0
[M+Na-2H]- 98.961906 114.6
[M]+ 77.986691 108.4
[M]- 77.987789 108.4
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.