CID 107348029

(2-fluoro-3-nitrophenyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C7H5ClFNO4S
SMILES
C1=CC(=C(C(=C1)[N+](=O)[O-])F)CS(=O)(=O)Cl
InChI
InChI=1S/C7H5ClFNO4S/c8-15(13,14)4-5-2-1-3-6(7(5)9)10(11)12/h1-3H,4H2
InChIKey
JVZQNNPQUDLNBA-UHFFFAOYSA-N
Compound name
(2-fluoro-3-nitrophenyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.96118 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.96846 143.8
[M+Na]+ 275.95040 153.2
[M-H]- 251.95390 146.9
[M+NH4]+ 270.99500 161.4
[M+K]+ 291.92434 145.1
[M+H-H2O]+ 235.95844 143.2
[M+HCOO]- 297.95938 158.3
[M+CH3COO]- 311.97503 181.6
[M+Na-2H]- 273.93585 149.8
[M]+ 252.96063 145.8
[M]- 252.96173 145.8
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.