CID 164294

1,2,4-benzotriazine, 1,2-dihydro-1-methyl-6-(trifluoromethyl)-

Structural Information

Molecular Formula
C9H8F3N3
SMILES
CN1C2=C(C=C(C=C2)C(F)(F)F)N=CN1
InChI
InChI=1S/C9H8F3N3/c1-15-8-3-2-6(9(10,11)12)4-7(8)13-5-14-15/h2-5H,1H3,(H,13,14)
InChIKey
BJZIAJMTOFVEDF-UHFFFAOYSA-N
Compound name
1-methyl-6-(trifluoromethyl)-2H-1,2,4-benzotriazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.06703 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.07431 145.1
[M+Na]+ 238.05625 155.2
[M-H]- 214.05975 140.5
[M+NH4]+ 233.10085 160.3
[M+K]+ 254.03019 150.1
[M+H-H2O]+ 198.06429 135.0
[M+HCOO]- 260.06523 157.7
[M+CH3COO]- 274.08088 184.9
[M+Na-2H]- 236.04170 152.3
[M]+ 215.06648 138.8
[M]- 215.06758 138.8
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.