CID 99315

4-(aminomethyl)benzenesulfonyl fluoride

Structural Information

Molecular Formula
C7H8FNO2S
SMILES
C1=CC(=CC=C1CN)S(=O)(=O)F
InChI
InChI=1S/C7H8FNO2S/c8-12(10,11)7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
InChIKey
KAZMFFUBWJKPDL-UHFFFAOYSA-N
Compound name
4-(aminomethyl)benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

35
Patents

189.02597 Da
Monoisotopic Mass

1.2
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

literature stripe

Patent stripe

patents stripe