CID 167715393

4-amino-5-chloro-2-methoxybenzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C7H7ClFNO3S
SMILES
COC1=C(C=C(C(=C1)N)Cl)S(=O)(=O)F
InChI
InChI=1S/C7H7ClFNO3S/c1-13-6-3-5(10)4(8)2-7(6)14(9,11)12/h2-3H,10H2,1H3
InChIKey
UWJJJUOICPJGDP-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-2-methoxybenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.98192 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.98920 141.9
[M+Na]+ 261.97114 153.2
[M-H]- 237.97464 145.1
[M+NH4]+ 257.01574 161.0
[M+K]+ 277.94508 148.8
[M+H-H2O]+ 221.97918 136.9
[M+HCOO]- 283.98012 156.0
[M+CH3COO]- 297.99577 188.2
[M+Na-2H]- 259.95659 145.1
[M]+ 238.98137 145.7
[M]- 238.98247 145.7
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.