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]+ 253.968456 143.8
[M+Na]+ 275.950398 153.2
[M-H]- 251.953904 146.9
[M+NH4]+ 270.995003 161.4
[M+K]+ 291.924338 145.1
[M+H-H2O]+ 235.958440 143.2
[M+HCOO]- 297.959381 158.3
[M+CH3COO]- 311.975031 181.6
[M+Na-2H]- 273.935846 149.8
[M]+ 252.96063142 145.8
[M]- 252.96172858 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.