CID 3622904

3-amino-4-ethoxybenzenesulfonyl fluoride

Structural Information

Molecular Formula
C8H10FNO3S
SMILES
CCOC1=C(C=C(C=C1)S(=O)(=O)F)N
InChI
InChI=1S/C8H10FNO3S/c1-2-13-8-4-3-6(5-7(8)10)14(9,11)12/h3-5H,2,10H2,1H3
InChIKey
VHQMHHNNPYKUPQ-UHFFFAOYSA-N
Compound name
3-amino-4-ethoxybenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

219.03654 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.04382 141.5
[M+Na]+ 242.02576 151.0
[M-H]- 218.02926 144.1
[M+NH4]+ 237.07036 160.2
[M+K]+ 257.99970 147.9
[M+H-H2O]+ 202.03380 135.0
[M+HCOO]- 264.03474 159.8
[M+CH3COO]- 278.05039 186.2
[M+Na-2H]- 240.01121 145.2
[M]+ 219.03599 143.4
[M]- 219.03709 143.4
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