CID 67469196

2287342-25-8

Structural Information

Molecular Formula
C6H5FN4
SMILES
C1=C(C(=CC2=NNN=C21)F)N
InChI
InChI=1S/C6H5FN4/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H,8H2,(H,9,10,11)
InChIKey
SXKUEOVDWAFJSS-UHFFFAOYSA-N
Compound name
6-fluoro-2H-benzotriazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

152.04982 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05710 125.3
[M+Na]+ 175.03904 137.3
[M-H]- 151.04254 124.1
[M+NH4]+ 170.08364 144.7
[M+K]+ 191.01298 133.0
[M+H-H2O]+ 135.04708 117.4
[M+HCOO]- 197.04802 147.0
[M+CH3COO]- 211.06367 139.0
[M+Na-2H]- 173.02449 133.7
[M]+ 152.04927 123.0
[M]- 152.05037 123.0
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