CID 22451070

(4-nitrophenyl)methanesulfonyl fluoride

Structural Information

Molecular Formula
C7H6FNO4S
SMILES
C1=CC(=CC=C1CS(=O)(=O)F)[N+](=O)[O-]
InChI
InChI=1S/C7H6FNO4S/c8-14(12,13)5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2
InChIKey
VKSZNRBZGINFCE-UHFFFAOYSA-N
Compound name
(4-nitrophenyl)methanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

219.00015 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.00743 138.5
[M+Na]+ 241.98937 146.9
[M-H]- 217.99287 141.5
[M+NH4]+ 237.03397 156.4
[M+K]+ 257.96331 140.2
[M+H-H2O]+ 201.99741 136.6
[M+HCOO]- 263.99835 157.7
[M+CH3COO]- 278.01400 176.6
[M+Na-2H]- 239.97482 145.6
[M]+ 218.99960 138.2
[M]- 219.00070 138.2
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