CID 20120375

3-fluoro-4-methanesulfonamidobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H7ClFNO4S2
SMILES
CS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)Cl)F
InChI
InChI=1S/C7H7ClFNO4S2/c1-15(11,12)10-7-3-2-5(4-6(7)9)16(8,13)14/h2-4,10H,1H3
InChIKey
VBJPDRCPOAOCJQ-UHFFFAOYSA-N
Compound name
3-fluoro-4-(methanesulfonamido)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.9489 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.95618 153.0
[M+Na]+ 309.93812 163.1
[M-H]- 285.94162 155.9
[M+NH4]+ 304.98272 169.7
[M+K]+ 325.91206 157.2
[M+H-H2O]+ 269.94616 147.6
[M+HCOO]- 331.94710 160.9
[M+CH3COO]- 345.96275 193.2
[M+Na-2H]- 307.92357 157.0
[M]+ 286.94835 157.2
[M]- 286.94945 157.2
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

No patent data available for this compound.