CID 99939027

(2-nitrophenyl)methanesulfonyl fluoride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.00015 Da
Monoisotopic Mass

1.8
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.