CID 1701

4-(2-aminoethyl)benzenesulfonyl fluoride

Structural Information

Molecular Formula
C8H10FNO2S
SMILES
C1=CC(=CC=C1CCN)S(=O)(=O)F
InChI
InChI=1S/C8H10FNO2S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
InChIKey
MGSKVZWGBWPBTF-UHFFFAOYSA-N
Compound name
4-(2-aminoethyl)benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

723
References

20340
Patents

203.04163 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.04891 138.7
[M+Na]+ 226.03085 147.5
[M-H]- 202.03435 141.0
[M+NH4]+ 221.07545 157.8
[M+K]+ 242.00479 143.9
[M+H-H2O]+ 186.03889 132.1
[M+HCOO]- 248.03983 156.7
[M+CH3COO]- 262.05548 182.8
[M+Na-2H]- 224.01630 142.8
[M]+ 203.04108 138.7
[M]- 203.04218 138.7
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