CID 87067450

4-aminonaphthalene-1-sulfonylfluoride

Structural Information

Molecular Formula
C10H8FNO2S
SMILES
C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)F)N
InChI
InChI=1S/C10H8FNO2S/c11-15(13,14)10-6-5-9(12)7-3-1-2-4-8(7)10/h1-6H,12H2
InChIKey
BOESTXFZZXYYGE-UHFFFAOYSA-N
Compound name
4-aminonaphthalene-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

989
Patents

225.02597 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.033246 142.2
[M+Na]+ 248.015188 152.6
[M-H]- 224.018694 145.7
[M+NH4]+ 243.059793 161.7
[M+K]+ 263.989128 148.1
[M+H-H2O]+ 208.023230 135.8
[M+HCOO]- 270.024171 159.6
[M+CH3COO]- 284.039821 187.6
[M+Na-2H]- 246.000636 148.5
[M]+ 225.02542142 142.5
[M]- 225.02651858 142.5
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