CID 57562880

2-fluoro-3-methyl-5-nitrobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H5ClFNO4S
SMILES
CC1=CC(=CC(=C1F)S(=O)(=O)Cl)[N+](=O)[O-]
InChI
InChI=1S/C7H5ClFNO4S/c1-4-2-5(10(11)12)3-6(7(4)9)15(8,13)14/h2-3H,1H3
InChIKey
WUIIDYYCXNRFON-UHFFFAOYSA-N
Compound name
2-fluoro-3-methyl-5-nitrobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

252.96118 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.96846 142.9
[M+Na]+ 275.95040 153.2
[M-H]- 251.95390 146.4
[M+NH4]+ 270.99500 160.8
[M+K]+ 291.92434 145.1
[M+H-H2O]+ 235.95844 142.6
[M+HCOO]- 297.95938 157.4
[M+CH3COO]- 311.97503 182.8
[M+Na-2H]- 273.93585 148.4
[M]+ 252.96063 145.3
[M]- 252.96173 145.3
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