CID 9819

402-36-8

Structural Information

Molecular Formula
C7H4FNO3S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)F)N=C=O
InChI
InChI=1S/C7H4FNO3S/c8-13(11,12)7-3-1-2-6(4-7)9-5-10/h1-4H
InChIKey
MXNBVYUXLFKJKX-UHFFFAOYSA-N
Compound name
3-isocyanatobenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

200.9896 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.99688 134.9
[M+Na]+ 223.97882 145.1
[M-H]- 199.98232 139.5
[M+NH4]+ 219.02342 155.0
[M+K]+ 239.95276 142.4
[M+H-H2O]+ 183.98686 128.3
[M+HCOO]- 245.98780 156.1
[M+CH3COO]- 260.00345 182.7
[M+Na-2H]- 221.96427 141.2
[M]+ 200.98905 137.5
[M]- 200.99015 137.5
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