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]+ 183.031276 128.3
[M+Na]+ 205.013218 139.3
[M-H]- 181.016724 127.7
[M+NH4]+ 200.057823 145.8
[M+K]+ 220.987158 131.8
[M+H-H2O]+ 165.021260 124.8
[M+HCOO]- 227.022201 150.7
[M+CH3COO]- 241.037851 171.3
[M+Na-2H]- 202.998666 139.2
[M]+ 182.02345142 126.1
[M]- 182.02454858 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.