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]+ 190.03325 134.2
[M+Na]+ 212.01519 143.4
[M-H]- 188.01869 136.6
[M+NH4]+ 207.05979 153.9
[M+K]+ 227.98913 140.1
[M+H-H2O]+ 172.02323 127.8
[M+HCOO]- 234.02417 152.6
[M+CH3COO]- 248.03982 179.8
[M+Na-2H]- 210.00064 138.8
[M]+ 189.02542 133.9
[M]- 189.02652 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.