CID 338893

85010-46-4

Structural Information

Molecular Formula
C14H12FN3O
SMILES
CN1C(C2=CC=CC=C2N=N1)(C3=CC=C(C=C3)F)O
InChI
InChI=1S/C14H12FN3O/c1-18-14(19,10-6-8-11(15)9-7-10)12-4-2-3-5-13(12)16-17-18/h2-9,19H,1H3
InChIKey
QKEIEQJDNYDEOT-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-3-methyl-1,2,3-benzotriazin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.09644 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10372 158.5
[M+Na]+ 280.08566 169.1
[M-H]- 256.08916 160.0
[M+NH4]+ 275.13026 173.7
[M+K]+ 296.05960 163.2
[M+H-H2O]+ 240.09370 148.0
[M+HCOO]- 302.09464 174.8
[M+CH3COO]- 316.11029 169.6
[M+Na-2H]- 278.07111 166.4
[M]+ 257.09589 156.4
[M]- 257.09699 156.4
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.