CID 45791743

4-(carbamoylamino)benzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C7H7FN2O3S
SMILES
C1=CC(=CC=C1NC(=O)N)S(=O)(=O)F
InChI
InChI=1S/C7H7FN2O3S/c8-14(12,13)6-3-1-5(2-4-6)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKey
CIXVJFSPGNLQNF-UHFFFAOYSA-N
Compound name
4-(carbamoylamino)benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

218.01614 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.02342 140.5
[M+Na]+ 241.00536 148.5
[M-H]- 217.00886 142.7
[M+NH4]+ 236.04996 158.3
[M+K]+ 256.97930 145.5
[M+H-H2O]+ 201.01340 133.5
[M+HCOO]- 263.01434 159.1
[M+CH3COO]- 277.02999 186.3
[M+Na-2H]- 238.99081 144.6
[M]+ 218.01559 139.3
[M]- 218.01669 139.3
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

No patent data available for this compound.