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]+ 216.02376 140.6
[M+Na]+ 238.00570 154.5
[M-H]- 214.00920 141.7
[M+NH4]+ 233.05030 159.3
[M+K]+ 253.97964 150.9
[M+H-H2O]+ 198.01374 133.6
[M+HCOO]- 260.01468 157.1
[M+CH3COO]- 274.03033 182.3
[M+Na-2H]- 235.99115 146.6
[M]+ 215.01593 145.4
[M]- 215.01703 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.