CID 5200975

71517-82-3

Structural Information

Molecular Formula
C8H8FN3O2S
SMILES
C1=CC=C2C(=C1)N=NN2CCS(=O)(=O)F
InChI
InChI=1S/C8H8FN3O2S/c9-15(13,14)6-5-12-8-4-2-1-3-7(8)10-11-12/h1-4H,5-6H2
InChIKey
TXLZCFAYJDGTAC-UHFFFAOYSA-N
Compound name
2-(benzotriazol-1-yl)ethanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

229.03212 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.03940 144.9
[M+Na]+ 252.02134 157.6
[M-H]- 228.02484 145.5
[M+NH4]+ 247.06594 162.8
[M+K]+ 267.99528 153.8
[M+H-H2O]+ 212.02938 137.5
[M+HCOO]- 274.03032 161.2
[M+CH3COO]- 288.04597 184.1
[M+Na-2H]- 250.00679 151.1
[M]+ 229.03157 149.7
[M]- 229.03267 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

patents stripe