CID 155971334

2411299-35-7

Structural Information

Molecular Formula
C10H12FNO3S
SMILES
COC1=CC2=C(CN(CC2)S(=O)(=O)F)C=C1
InChI
InChI=1S/C10H12FNO3S/c1-15-10-3-2-9-7-12(16(11,13)14)5-4-8(9)6-10/h2-3,6H,4-5,7H2,1H3
InChIKey
GBXFOTWIKOSCPL-UHFFFAOYSA-N
Compound name
6-methoxy-3,4-dihydro-1H-isoquinoline-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.05219 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.05947 148.5
[M+Na]+ 268.04141 157.5
[M-H]- 244.04491 150.4
[M+NH4]+ 263.08601 166.3
[M+K]+ 284.01535 154.4
[M+H-H2O]+ 228.04945 141.5
[M+HCOO]- 290.05039 161.7
[M+CH3COO]- 304.06604 188.8
[M+Na-2H]- 266.02686 153.5
[M]+ 245.05164 149.7
[M]- 245.05274 149.7
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

No patent data available for this compound.