CID 67608

Benzenesulfonyl fluoride, 4-(acetylamino)-

Structural Information

Molecular Formula
C8H8FNO3S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)F
InChI
InChI=1S/C8H8FNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)
InChIKey
HRQHLUBMODFETM-UHFFFAOYSA-N
Compound name
4-acetamidobenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

12
Patents

217.02089 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.02817 140.7
[M+Na]+ 240.01011 149.4
[M-H]- 216.01361 143.6
[M+NH4]+ 235.05471 159.4
[M+K]+ 255.98405 146.6
[M+H-H2O]+ 200.01815 134.1
[M+HCOO]- 262.01909 158.8
[M+CH3COO]- 276.03474 184.9
[M+Na-2H]- 237.99556 144.9
[M]+ 217.02034 141.8
[M]- 217.02144 141.8
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