CID 86767408

(2-fluoro-4-methylphenyl)methanesulfonamide

Structural Information

Molecular Formula
C8H10FNO2S
SMILES
CC1=CC(=C(C=C1)CS(=O)(=O)N)F
InChI
InChI=1S/C8H10FNO2S/c1-6-2-3-7(8(9)4-6)5-13(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12)
InChIKey
VTDUBTXOYYXSJP-UHFFFAOYSA-N
Compound name
(2-fluoro-4-methylphenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

203.04163 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.048906 138.2
[M+Na]+ 226.030848 147.8
[M-H]- 202.034354 140.9
[M+NH4]+ 221.075453 157.7
[M+K]+ 242.004788 144.3
[M+H-H2O]+ 186.038890 131.9
[M+HCOO]- 248.039831 156.2
[M+CH3COO]- 262.055481 184.0
[M+Na-2H]- 224.016296 141.6
[M]+ 203.04108142 138.6
[M]- 203.04217858 138.6
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