CID 126782062

2-fluoro-n,3-dimethylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C8H10FNO2S
SMILES
CC1=C(C(=CC=C1)S(=O)(=O)NC)F
InChI
InChI=1S/C8H10FNO2S/c1-6-4-3-5-7(8(6)9)13(11,12)10-2/h3-5,10H,1-2H3
InChIKey
PXJRMCHXJXWNJG-UHFFFAOYSA-N
Compound name
2-fluoro-N,3-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.04163 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.048906 137.6
[M+Na]+ 226.030848 147.3
[M-H]- 202.034354 140.9
[M+NH4]+ 221.075453 157.4
[M+K]+ 242.004788 144.1
[M+H-H2O]+ 186.038890 131.3
[M+HCOO]- 248.039831 156.3
[M+CH3COO]- 262.055481 184.7
[M+Na-2H]- 224.016296 142.2
[M]+ 203.04108142 139.1
[M]- 203.04217858 139.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.