CID 137935996

2253630-20-3

Structural Information

Molecular Formula
C6H3FN4O2
SMILES
C1=C(C(=CC2=NNN=C21)F)[N+](=O)[O-]
InChI
InChI=1S/C6H3FN4O2/c7-3-1-4-5(9-10-8-4)2-6(3)11(12)13/h1-2H,(H,8,9,10)
InChIKey
HJPKPWLCZGQXEP-UHFFFAOYSA-N
Compound name
5-fluoro-6-nitro-2H-benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.024 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.03128 128.3
[M+Na]+ 205.01322 139.3
[M-H]- 181.01672 127.7
[M+NH4]+ 200.05782 145.8
[M+K]+ 220.98716 131.8
[M+H-H2O]+ 165.02126 124.8
[M+HCOO]- 227.02220 150.7
[M+CH3COO]- 241.03785 171.3
[M+Na-2H]- 202.99867 139.2
[M]+ 182.02345 126.1
[M]- 182.02455 126.1
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.