CID 104458

2-(methylsulfonyl)ethyl carbonochloridate

Structural Information

Molecular Formula
C4H7ClO4S
SMILES
CS(=O)(=O)CCOC(=O)Cl
InChI
InChI=1S/C4H7ClO4S/c1-10(7,8)3-2-9-4(5)6/h2-3H2,1H3
InChIKey
KRGWSYPAFWHXQI-UHFFFAOYSA-N
Compound name
2-methylsulfonylethyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

158
Patents

185.97536 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.98264 130.9
[M+Na]+ 208.96458 140.3
[M-H]- 184.96808 132.2
[M+NH4]+ 204.00918 152.1
[M+K]+ 224.93852 138.3
[M+H-H2O]+ 168.97262 127.9
[M+HCOO]- 230.97356 144.5
[M+CH3COO]- 244.98921 174.7
[M+Na-2H]- 206.95003 135.0
[M]+ 185.97481 137.7
[M]- 185.97591 137.7
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