CID 89737477

2-fluoro-3-methylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C7H8FNO2S
SMILES
CC1=C(C(=CC=C1)S(=O)(=O)N)F
InChI
InChI=1S/C7H8FNO2S/c1-5-3-2-4-6(7(5)8)12(9,10)11/h2-4H,1H3,(H2,9,10,11)
InChIKey
HQVJSZITQCSLKS-UHFFFAOYSA-N
Compound name
2-fluoro-3-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

189.02597 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.03325 133.7
[M+Na]+ 212.01519 143.7
[M-H]- 188.01869 136.5
[M+NH4]+ 207.05979 153.7
[M+K]+ 227.98913 140.4
[M+H-H2O]+ 172.02323 127.6
[M+HCOO]- 234.02417 152.0
[M+CH3COO]- 248.03982 181.0
[M+Na-2H]- 210.00064 137.6
[M]+ 189.02542 133.8
[M]- 189.02652 133.8
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

patents stripe