CID 3593541

108045-25-6

Structural Information

Molecular Formula
C10H6FNO4S
SMILES
C1=CC2=C(C=CC=C2S(=O)(=O)F)C(=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H6FNO4S/c11-17(15,16)10-6-2-3-7-8(10)4-1-5-9(7)12(13)14/h1-6H
InChIKey
YXFCEYJBLGYFQO-UHFFFAOYSA-N
Compound name
5-nitronaphthalene-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.00015 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.00743 146.5
[M+Na]+ 277.98937 155.5
[M-H]- 253.99287 150.4
[M+NH4]+ 273.03397 164.0
[M+K]+ 293.96331 147.8
[M+H-H2O]+ 237.99741 144.3
[M+HCOO]- 299.99835 164.5
[M+CH3COO]- 314.01400 184.4
[M+Na-2H]- 275.97482 155.2
[M]+ 254.99960 146.7
[M]- 255.00070 146.7
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.