CID 3685201

1-fluoro-4-trifluoromethanesulfonylbenzene

Structural Information

Molecular Formula
C7H4F4O2S
SMILES
C1=CC(=CC=C1F)S(=O)(=O)C(F)(F)F
InChI
InChI=1S/C7H4F4O2S/c8-5-1-3-6(4-2-5)14(12,13)7(9,10)11/h1-4H
InChIKey
GYGWKIHINPEOAM-UHFFFAOYSA-N
Compound name
1-fluoro-4-(trifluoromethylsulfonyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

227.98682 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.99410 137.1
[M+Na]+ 250.97604 147.7
[M-H]- 226.97954 136.4
[M+NH4]+ 246.02064 155.8
[M+K]+ 266.94998 144.2
[M+H-H2O]+ 210.98408 128.8
[M+HCOO]- 272.98502 150.5
[M+CH3COO]- 287.00067 183.9
[M+Na-2H]- 248.96149 141.6
[M]+ 227.98627 134.5
[M]- 227.98737 134.5
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

patents stripe