CID 116202

64036-82-4

Structural Information

Molecular Formula
C2H5ClO4S
SMILES
C(CCl)OS(=O)(=O)O
InChI
InChI=1S/C2H5ClO4S/c3-1-2-7-8(4,5)6/h1-2H2,(H,4,5,6)
InChIKey
KKMZBTDWXHJLOW-UHFFFAOYSA-N
Compound name
2-chloroethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

159.9597 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.96698 123.7
[M+Na]+ 182.94892 133.3
[M-H]- 158.95242 123.6
[M+NH4]+ 177.99352 145.2
[M+K]+ 198.92286 131.0
[M+H-H2O]+ 142.95696 121.0
[M+HCOO]- 204.95790 137.1
[M+CH3COO]- 218.97355 166.8
[M+Na-2H]- 180.93437 129.3
[M]+ 159.95915 129.1
[M]- 159.96025 129.1
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

patents stripe