CID 165947347

1-chloro-4-(difluoromethyl)phthalazine

Structural Information

Molecular Formula
C9H5ClF2N2
SMILES
C1=CC=C2C(=C1)C(=NN=C2Cl)C(F)F
InChI
InChI=1S/C9H5ClF2N2/c10-8-6-4-2-1-3-5(6)7(9(11)12)13-14-8/h1-4,9H
InChIKey
LZXVZWPXLVATER-UHFFFAOYSA-N
Compound name
1-chloro-4-(difluoromethyl)phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.01093 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.01821 137.2
[M+Na]+ 237.00015 148.6
[M-H]- 213.00365 136.6
[M+NH4]+ 232.04475 155.3
[M+K]+ 252.97409 143.2
[M+H-H2O]+ 197.00819 128.6
[M+HCOO]- 259.00913 151.2
[M+CH3COO]- 273.02478 149.9
[M+Na-2H]- 234.98560 144.6
[M]+ 214.01038 136.9
[M]- 214.01148 136.9
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.