CID 4195301

4'-amino-[1,1'-biphenyl]-4-sulfonyl fluoride

Structural Information

Molecular Formula
C12H10FNO2S
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)F)N
InChI
InChI=1S/C12H10FNO2S/c13-17(15,16)12-7-3-10(4-8-12)9-1-5-11(14)6-2-9/h1-8H,14H2
InChIKey
QMKLLGIEJDQSNZ-UHFFFAOYSA-N
Compound name
4-(4-aminophenyl)benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

251.04163 Da
Monoisotopic Mass

1.8
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

No literature data available for this compound.

Patent stripe

patents stripe