CID 137949478

(3-aminophenyl)methanesulfonyl fluoride

Structural Information

Molecular Formula
C7H8FNO2S
SMILES
C1=CC(=CC(=C1)N)CS(=O)(=O)F
InChI
InChI=1S/C7H8FNO2S/c8-12(10,11)5-6-2-1-3-7(9)4-6/h1-4H,5,9H2
InChIKey
DLJCISFPCDZFDK-UHFFFAOYSA-N
Compound name
(3-aminophenyl)methanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.02597 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.033246 134.2
[M+Na]+ 212.015188 143.4
[M-H]- 188.018694 136.6
[M+NH4]+ 207.059793 153.9
[M+K]+ 227.989128 140.1
[M+H-H2O]+ 172.023230 127.8
[M+HCOO]- 234.024171 152.6
[M+CH3COO]- 248.039821 179.8
[M+Na-2H]- 210.000636 138.8
[M]+ 189.02542142 133.9
[M]- 189.02651858 133.9
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

No patent data available for this compound.