CID 572814

4-(4-fluorobenzenesulfonyl)aniline hydrochloride

Structural Information

Molecular Formula
C12H10FNO2S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H10FNO2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,14H2
InChIKey
YKLGSFACDTUTPG-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)sulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

73
Patents

251.04163 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.04891 151.0
[M+Na]+ 274.03085 160.6
[M-H]- 250.03435 156.7
[M+NH4]+ 269.07545 168.2
[M+K]+ 290.00479 155.4
[M+H-H2O]+ 234.03889 143.4
[M+HCOO]- 296.03983 169.4
[M+CH3COO]- 310.05548 191.9
[M+Na-2H]- 272.01630 155.3
[M]+ 251.04108 150.5
[M]- 251.04218 150.5
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