CID 17775914

4-(1-aminoethyl)benzene-1-sulfonyl fluoride hydrochloride

Structural Information

Molecular Formula
C8H10FNO2S
SMILES
CC(C1=CC=C(C=C1)S(=O)(=O)F)N
InChI
InChI=1S/C8H10FNO2S/c1-6(10)7-2-4-8(5-3-7)13(9,11)12/h2-6H,10H2,1H3
InChIKey
NAQOYOYPJPLALY-UHFFFAOYSA-N
Compound name
4-(1-aminoethyl)benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

212
Patents

203.04163 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.04891 138.6
[M+Na]+ 226.03085 147.1
[M-H]- 202.03435 141.0
[M+NH4]+ 221.07545 157.7
[M+K]+ 242.00479 144.1
[M+H-H2O]+ 186.03889 132.2
[M+HCOO]- 248.03983 155.6
[M+CH3COO]- 262.05548 183.7
[M+Na-2H]- 224.01630 141.7
[M]+ 203.04108 138.1
[M]- 203.04218 138.1
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