CID 122164345

1989671-26-2

Structural Information

Molecular Formula
C4H8FNO2S
SMILES
C1C(CN1)CS(=O)(=O)F
InChI
InChI=1S/C4H8FNO2S/c5-9(7,8)3-4-1-6-2-4/h4,6H,1-3H2
InChIKey
ZXFVNMJBSXIXGE-UHFFFAOYSA-N
Compound name
azetidin-3-ylmethanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

153.02597 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.03325 123.6
[M+Na]+ 176.01519 129.5
[M-H]- 152.01869 123.0
[M+NH4]+ 171.05979 136.3
[M+K]+ 191.98913 130.6
[M+H-H2O]+ 136.02323 111.9
[M+HCOO]- 198.02417 136.3
[M+CH3COO]- 212.03982 172.0
[M+Na-2H]- 174.00064 127.2
[M]+ 153.02542 130.1
[M]- 153.02652 130.1
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