CID 122163397

1-methyl-1h-1,2,3-benzotriazole-5-sulfonyl fluoride

Structural Information

Molecular Formula
C7H6FN3O2S
SMILES
CN1C2=C(C=C(C=C2)S(=O)(=O)F)N=N1
InChI
InChI=1S/C7H6FN3O2S/c1-11-7-3-2-5(14(8,12)13)4-6(7)9-10-11/h2-4H,1H3
InChIKey
NOJIQKJUCJIGKW-UHFFFAOYSA-N
Compound name
1-methylbenzotriazole-5-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.01648 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.023756 140.6
[M+Na]+ 238.005698 154.5
[M-H]- 214.009204 141.7
[M+NH4]+ 233.050303 159.3
[M+K]+ 253.979638 150.9
[M+H-H2O]+ 198.013740 133.6
[M+HCOO]- 260.014681 157.1
[M+CH3COO]- 274.030331 182.3
[M+Na-2H]- 235.991146 146.6
[M]+ 215.01593142 145.4
[M]- 215.01702858 145.4
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

No patent data available for this compound.