CID 137951974

2193064-72-9

Structural Information

Molecular Formula
C7H10ClNO3S
SMILES
C1CC1C(C#N)OCCS(=O)(=O)Cl
InChI
InChI=1S/C7H10ClNO3S/c8-13(10,11)4-3-12-7(5-9)6-1-2-6/h6-7H,1-4H2
InChIKey
HTWASPFTCAYWTH-UHFFFAOYSA-N
Compound name
2-[cyano(cyclopropyl)methoxy]ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.00699 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.01427 141.8
[M+Na]+ 245.99621 156.9
[M-H]- 221.99971 148.6
[M+NH4]+ 241.04081 157.0
[M+K]+ 261.97015 151.1
[M+H-H2O]+ 206.00425 133.5
[M+HCOO]- 268.00519 153.9
[M+CH3COO]- 282.02084 197.6
[M+Na-2H]- 243.98166 146.6
[M]+ 223.00644 146.2
[M]- 223.00754 146.2
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.