CID 155821311

2355529-30-3

Structural Information

Molecular Formula
C7H9FN2O3S
SMILES
COC1=NC=C(N=C1)CCS(=O)(=O)F
InChI
InChI=1S/C7H9FN2O3S/c1-13-7-5-9-6(4-10-7)2-3-14(8,11)12/h4-5H,2-3H2,1H3
InChIKey
XRKBUSPOQTYRRO-UHFFFAOYSA-N
Compound name
2-(5-methoxypyrazin-2-yl)ethanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.03178 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.03906 142.0
[M+Na]+ 243.02100 152.1
[M-H]- 219.02450 142.2
[M+NH4]+ 238.06560 158.4
[M+K]+ 258.99494 149.5
[M+H-H2O]+ 203.02904 134.3
[M+HCOO]- 265.02998 157.8
[M+CH3COO]- 279.04563 183.1
[M+Na-2H]- 241.00645 147.3
[M]+ 220.03123 145.9
[M]- 220.03233 145.9
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.