CID 91715496

(3-nitrophenyl)methanesulfonyl fluoride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

219.00015 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.007426 138.5
[M+Na]+ 241.989368 146.9
[M-H]- 217.992874 141.5
[M+NH4]+ 237.033973 156.4
[M+K]+ 257.963308 140.2
[M+H-H2O]+ 201.997410 136.6
[M+HCOO]- 263.998351 157.7
[M+CH3COO]- 278.014001 176.6
[M+Na-2H]- 239.974816 145.6
[M]+ 218.99960142 138.2
[M]- 219.00069858 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

patents stripe